10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene

C27H22 — CID 142527160

IUPAC10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene
SMILESCc1ccc(C2(c3ccccc3)C3=C(C=CC=CC3)c3ccccc32)cc1
InChIInChI=1S/C27H22/c1-20-16-18-22(19-17-20)27(21-10-4-2-5-11-21)25-14-7-3-6-12-23(25)24-13-8-9-15-26(24)27/h2-13,15-19H,14H2,1H3
InChIKeySDXWJRJMYBCGEG-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.61
Rot. Bonds2

About 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene

10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene (PubChem CID 142527160) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene.

Molecular Properties

Compound Name10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene
PubChem CID142527160
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene
SMILESCc1ccc(C2(c3ccccc3)C3=C(C=CC=CC3)c3ccccc32)cc1
InChIInChI=1S/C27H22/c1-20-16-18-22(19-17-20)27(21-10-4-2-5-11-21)25-14-7-3-6-12-23(25)24-13-8-9-15-26(24)27/h2-13,15-19H,14H2,1H3
InChIKeySDXWJRJMYBCGEG-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline
CID 163520915
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[9H-benzo[a]azulene-10,9'-fluorene]-2'-amine
CID 166956969
spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine
CID 126548449
1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
N-phenylspiro[9H-benzo[a]azulene-10,9'-thioxanthene]-4'-amine
CID 155484520
4-N-(6-methylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]-2'-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 145464393
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
CID 89008919
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
ethane;(8Z)-2'-methylspiro[7,10-dihydrocycloocta[a]indene-11,10'-7H-benzo[a]azulene]
CID 144876245

Frequently Asked Questions

What is the IUPAC name of 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene?
The IUPAC name of 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene (CID 142527160) is 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene.
What is the SMILES notation for 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene?
The canonical SMILES for 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene is Cc1ccc(C2(c3ccccc3)C3=C(C=CC=CC3)c3ccccc32)cc1.
What is the InChIKey of 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene?
The InChIKey is SDXWJRJMYBCGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22/c1-20-16-18-22(19-17-20)27(21-10-4-2-5-11-21)25-14-7-3-6-12-23(25)24-13-8-9-15-26(24)27/h2-13,15-19H,14H2,1H3.
What are the key properties of 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene?
10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene has a molecular weight of 346.47 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene is sourced from PubChem (CID 142527160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).