2-phenyl-1-(2-phenylazulen-1-yl)azulene

C32H22 — CID 177444827

IUPAC2-phenyl-1-(2-phenylazulen-1-yl)azulene
SMILESc1ccc(-c2cc3cccccc-3c2-c2c3cccccc-3cc2-c2ccccc2)cc1
InChIInChI=1S/C32H22/c1-5-13-23(14-6-1)29-21-25-17-9-3-11-19-27(25)31(29)32-28-20-12-4-10-18-26(28)22-30(32)24-15-7-2-8-16-24/h1-22H
InChIKeyISDFVDQGXBCEMT-UHFFFAOYSA-N
MW406.53 g/mol
LogP8.90
Rot. Bonds3

About 2-phenyl-1-(2-phenylazulen-1-yl)azulene

2-phenyl-1-(2-phenylazulen-1-yl)azulene (PubChem CID 177444827) has the molecular formula C32H22 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-phenyl-1-(2-phenylazulen-1-yl)azulene.

Molecular Properties

Compound Name2-phenyl-1-(2-phenylazulen-1-yl)azulene
PubChem CID177444827
Molecular FormulaC32H22
Molecular Weight406.53 g/mol
Exact Mass406.17
IUPAC Name2-phenyl-1-(2-phenylazulen-1-yl)azulene
SMILESc1ccc(-c2cc3cccccc-3c2-c2c3cccccc-3cc2-c2ccccc2)cc1
InChIInChI=1S/C32H22/c1-5-13-23(14-6-1)29-21-25-17-9-3-11-19-27(25)31(29)32-28-20-12-4-10-18-26(28)22-30(32)24-15-7-2-8-16-24/h1-22H
InChIKeyISDFVDQGXBCEMT-UHFFFAOYSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 19931086
1,2-di(azulen-1-yl)azulene
CID 91306184
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
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1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
2-(3-chlorophenyl)-1,3,5-triphenylbenzene
CID 169275191
1-bromo-2-phenyl-4-(2-phenylphenyl)benzene
CID 170404819
2-(2-hydroxy-4,6-diphenylphenyl)-3,5-diphenylphenol
CID 19797768
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-phenylazulen-1-yl)azulene?
The IUPAC name of 2-phenyl-1-(2-phenylazulen-1-yl)azulene (CID 177444827) is 2-phenyl-1-(2-phenylazulen-1-yl)azulene.
What is the SMILES notation for 2-phenyl-1-(2-phenylazulen-1-yl)azulene?
The canonical SMILES for 2-phenyl-1-(2-phenylazulen-1-yl)azulene is c1ccc(-c2cc3cccccc-3c2-c2c3cccccc-3cc2-c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-1-(2-phenylazulen-1-yl)azulene?
The InChIKey is ISDFVDQGXBCEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22/c1-5-13-23(14-6-1)29-21-25-17-9-3-11-19-27(25)31(29)32-28-20-12-4-10-18-26(28)22-30(32)24-15-7-2-8-16-24/h1-22H.
What are the key properties of 2-phenyl-1-(2-phenylazulen-1-yl)azulene?
2-phenyl-1-(2-phenylazulen-1-yl)azulene has a molecular weight of 406.53 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2-phenylazulen-1-yl)azulene is sourced from PubChem (CID 177444827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).