3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene

C32H20Br2 — CID 175687151

IUPAC3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene
SMILESBrc1cc(-c2ccccc2)c2ccccc(-c3ccccc4c(-c5ccccc5)cc(Br)c3-4)c1-2
InChIInChI=1S/C32H20Br2/c33-29-19-27(21-11-3-1-4-12-21)25-17-9-7-15-23(31(25)29)24-16-8-10-18-26-28(20-30(34)32(24)26)22-13-5-2-6-14-22/h1-20H
InChIKeyYLMGFTYJZJIJLU-UHFFFAOYSA-N
MW564.32 g/mol
LogP10.42
Rot. Bonds3

About 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene

3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene (PubChem CID 175687151) has the molecular formula C32H20Br2 and a molecular weight of 564.32 g/mol. Its IUPAC name is 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene.

Molecular Properties

Compound Name3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene
PubChem CID175687151
Molecular FormulaC32H20Br2
Molecular Weight564.32 g/mol
Exact Mass561.99
IUPAC Name3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene
SMILESBrc1cc(-c2ccccc2)c2ccccc(-c3ccccc4c(-c5ccccc5)cc(Br)c3-4)c1-2
InChIInChI=1S/C32H20Br2/c33-29-19-27(21-11-3-1-4-12-21)25-17-9-7-15-23(31(25)29)24-16-8-10-18-26-28(20-30(34)32(24)26)22-13-5-2-6-14-22/h1-20H
InChIKeyYLMGFTYJZJIJLU-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.32
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene
CID 87347714
1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene
CID 175787735
CID 174614821
CID 174614821
1,4,5,8-tetrabromo-2,6-diphenylnaphthalene
CID 155342029
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
CID 89317260
CID 89317260
1-(2-bromophenyl)-3-deuterio-2,4,5-triphenylbenzene
CID 175805471
1-bromo-2-chloro-3-phenylbenzene
CID 14452537
1-bromo-2-phenyl-4-(2-phenylphenyl)benzene
CID 170404819
3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene
CID 71079311
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline
CID 141276571

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene?
The IUPAC name of 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene (CID 175687151) is 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene.
What is the SMILES notation for 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene?
The canonical SMILES for 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene is Brc1cc(-c2ccccc2)c2ccccc(-c3ccccc4c(-c5ccccc5)cc(Br)c3-4)c1-2.
What is the InChIKey of 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene?
The InChIKey is YLMGFTYJZJIJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Br2/c33-29-19-27(21-11-3-1-4-12-21)25-17-9-7-15-23(31(25)29)24-16-8-10-18-26-28(20-30(34)32(24)26)22-13-5-2-6-14-22/h1-20H.
What are the key properties of 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene?
3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene has a molecular weight of 564.32 g/mol, XLogP of 10.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene is sourced from PubChem (CID 175687151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).