9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole

C38H28N2 — CID 166919176

IUPAC9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole
SMILESCc1cc(N2c3ccccc3C3C#CC=CC32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C38H28N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-5,7-13,15-24,34,38H,1-2H3
InChIKeySOVIJVYKCTUZIW-UHFFFAOYSA-N
MW512.66 g/mol
LogP9.24
Rot. Bonds3

About 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole

9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole (PubChem CID 166919176) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole
PubChem CID166919176
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole
SMILESCc1cc(N2c3ccccc3C3C#CC=CC32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C38H28N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-5,7-13,15-24,34,38H,1-2H3
InChIKeySOVIJVYKCTUZIW-UHFFFAOYSA-N
XLogP9.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-[2-[2-[2-[(9aS)-3,4-didehydro-4a,9a-dihydrocarbazol-9-yl]phenyl]phenyl]phenyl]carbazole
CID 166803371
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
CID 163810192
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 158559186
3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 23397785
(10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
CID 126713256
5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
5-[3-(4a,9a-dihydrocarbazol-9-yl)carbazol-9-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134292770
1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 135191733
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole
CID 163928364

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole?
The IUPAC name of 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole (CID 166919176) is 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole is Cc1cc(N2c3ccccc3C3C#CC=CC32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.
What is the InChIKey of 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole?
The InChIKey is SOVIJVYKCTUZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-5,7-13,15-24,34,38H,1-2H3.
What are the key properties of 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole?
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole has a molecular weight of 512.66 g/mol, XLogP of 9.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole is sourced from PubChem (CID 166919176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).