1,2-di(azulen-1-yl)azulene

C30H20 — CID 91306184

IUPAC1,2-di(azulen-1-yl)azulene
SMILESc1ccc2ccc(-c3cc4cccccc-4c3-c3ccc4cccccc3-4)c-2cc1
InChIInChI=1S/C30H20/c1-4-10-21-16-18-27(24(21)13-7-1)29-20-23-12-6-3-9-15-26(23)30(29)28-19-17-22-11-5-2-8-14-25(22)28/h1-20H
InChIKeyRFVGKWDERUQNLB-UHFFFAOYSA-N
MW380.49 g/mol
LogP8.34
Rot. Bonds2

About 1,2-di(azulen-1-yl)azulene

1,2-di(azulen-1-yl)azulene (PubChem CID 91306184) has the molecular formula C30H20 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1,2-di(azulen-1-yl)azulene.

Molecular Properties

Compound Name1,2-di(azulen-1-yl)azulene
PubChem CID91306184
Molecular FormulaC30H20
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name1,2-di(azulen-1-yl)azulene
SMILESc1ccc2ccc(-c3cc4cccccc-4c3-c3ccc4cccccc3-4)c-2cc1
InChIInChI=1S/C30H20/c1-4-10-21-16-18-27(24(21)13-7-1)29-20-23-12-6-3-9-15-26(23)30(29)28-19-17-22-11-5-2-8-14-25(22)28/h1-20H
InChIKeyRFVGKWDERUQNLB-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174878589
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
1-bromo-2-phenyl-4-(2-phenylphenyl)benzene
CID 170404819
1-azulen-1-ylazulene;2-azulen-2-ylazulene;2-azulen-4-ylazulene;methane
CID 162138602
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788768
CID 69011285
CID 69011285

Frequently Asked Questions

What is the IUPAC name of 1,2-di(azulen-1-yl)azulene?
The IUPAC name of 1,2-di(azulen-1-yl)azulene (CID 91306184) is 1,2-di(azulen-1-yl)azulene.
What is the SMILES notation for 1,2-di(azulen-1-yl)azulene?
The canonical SMILES for 1,2-di(azulen-1-yl)azulene is c1ccc2ccc(-c3cc4cccccc-4c3-c3ccc4cccccc3-4)c-2cc1.
What is the InChIKey of 1,2-di(azulen-1-yl)azulene?
The InChIKey is RFVGKWDERUQNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20/c1-4-10-21-16-18-27(24(21)13-7-1)29-20-23-12-6-3-9-15-26(23)30(29)28-19-17-22-11-5-2-8-14-25(22)28/h1-20H.
What are the key properties of 1,2-di(azulen-1-yl)azulene?
1,2-di(azulen-1-yl)azulene has a molecular weight of 380.49 g/mol, XLogP of 8.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(azulen-1-yl)azulene is sourced from PubChem (CID 91306184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).