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N, N'-Di (4-biphenylyl) -N, N'-diphenylbenzidine

CAT: 0127-OR1079188-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1079188-01Size:1 g
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CAS Number
134008-76-7
Purity
>98.0%
Smiles
C1=CC=C (C=C1) C2=CC=C (C=C2) N (C3=CC=CC=C3) C4=CC=C (C=C4) C5=CC=C (C=C5) N (C6=CC=CC=C6) C7=CC=C (C=C7) C8=CC=CC=C8

Chemical Information

N,N'-Di(4-biphenylyl)-N,N'-diphenylbenzidine
CAS Number134008-76-7
PubChem CID22251228
IUPAC NameN,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
Molecular FormulaC48H36N2
Molecular Weight640.8
XLogP13.3
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count50
Formal Charge0
Complexity859
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8
InChI
InChI=1S/C48H36N2/c1-5-13-37(14-6-1)39-21-29-45(30-22-39)49(43-17-9-3-10-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-11-4-12-20-44)46-31-23-40(24-32-46)38-15-7-2-8-16-38/h1-36H
InChIKey
SDVOZSYGHFDAKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-Di(4-biphenylyl)-N,N'-diphenylbenzidine
CAS: 134008-76-7
CID: 22251228
Formula: C48H36N2
MW: 640.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight640.8
XLogP313.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass640.287849157
Monoisotopic Mass640.287849157
Topological Polar Surface Area6.5 Ų
Heavy Atom Count50
Formal Charge0
Complexity859
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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