Quaterrylene

CAT: 0926-AAA18873-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-AAA18873-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

188-73-8

Smiles

C1=CC2=C3C (=C1) C4=C5C (=CC=C6C5=C (C=C4) C7=C8C6=CC=C9C8=C (C=C7) C1=CC=CC4=C1C9=CC=C4) C3=CC=C2

Molecular Formula

C40H20

Molecular Weight

500.6 g/mol

Controlled

Chemical Information

Benzo[1,2,3-cd:4,5,6-c'd']diperylene

Quaterrylene is an ortho- and peri-fused polycyclic arene.

CAS Number	188-73-8
PubChem CID	135996
IUPAC Name	undecacyclo[20.12.2.22,5.16,10.123,27.03,18.04,15.019,35.032,36.014,38.031,37]tetraconta-1(35),2,4,6,8,10(38),11,13,15,17,19,21,23,25,27(37),28,30,32(36),33,39-icosaene
Molecular Formula	C40H20
Molecular Weight	500.6
XLogP	10.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	40
Formal Charge	0
Complexity	860

SMILES

C1=CC2=C3C(=C1)C4=C5C(=CC=C6C5=C(C=C4)C7=C8C6=CC=C9C8=C(C=C7)C1=CC=CC4=C1C9=CC=C4)C3=CC=C2

InChI

InChI=1S/C40H20/c1-5-21-6-2-10-24-28-14-18-32-34-20-16-30-26-12-4-8-22-7-3-11-25(36(22)26)29-15-19-33(40(34)38(29)30)31-17-13-27(37(28)39(31)32)23(9-1)35(21)24/h1-20H

InChIKey

GGVMPKQSTZIOIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188-73-8

CID: 135996

Formula: C40H20

MW: 500.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	500.6
XLogP3	10.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	500.156500638
Monoisotopic Mass	500.156500638
Topological Polar Surface Area	0 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	860
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

Quaterrylene

Chemical Information

Popular Products