Sumanene

CAT: 0127-OR1078370-01Size: 20 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1078370-01Size:20 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

151253-59-7

Synonyms

4,7-Dihydro-1H-tricyclopenta[def, jkl, pqr]triphenylene

Purity

>99.0%

Smiles

C1C2=C3C4=C (CC5=C4C6=C (CC7=C6C3=C1C=C7) C=C5) C=C2

Chemical Information

4,7-Dihydro-1H-tricyclopenta(def,jkl,pqr)triphenylene

structure in first source

CAS Number	151253-59-7
PubChem CID	11173107
IUPAC Name	heptacyclo[12.6.1.04,19.06,18.09,17.011,16.015,20]henicosa-1(20),2,4(19),6(18),7,9(17),11(16),12,14-nonaene
Molecular Formula	C21H12
Molecular Weight	264.3
XLogP	4.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	381

SMILES

C1C2=C3C4=C(CC5=C4C6=C(CC7=C6C3=C1C=C7)C=C5)C=C2

InChI

InChI=1S/C21H12/c1-2-11-8-13-5-6-15-9-14-4-3-12-7-10(1)16-17(11)19(13)21(15)20(14)18(12)16/h1-6H,7-9H2

InChIKey

WOYKPMSXBVTRKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 151253-59-7

CID: 11173107

Formula: C21H12

MW: 264.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.3
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	264.093900383
Monoisotopic Mass	264.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-S790600-25MG	Sumanene