2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole

C53H38N4 — CID 130412652

IUPAC2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6C5C=CC=CC5)ccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3cc21
InChIInChI=1S/C53H38N4/c1-53(2)44-22-12-9-19-37(44)40-31-43-42-30-35(34-25-27-48-41(29-34)38-20-11-14-24-47(38)56(48)36-17-7-4-8-18-36)26-28-49(42)57(50(43)32-45(40)53)52-54-46-23-13-10-21-39(46)51(55-52)33-15-5-3-6-16-33/h3-17,19-32,36H,18H2,1-2H3
InChIKeyLTBHXGIEUUUPHI-UHFFFAOYSA-N
MW730.92 g/mol
LogP13.53
Rot. Bonds4

About 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole

2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole (PubChem CID 130412652) has the molecular formula C53H38N4 and a molecular weight of 730.92 g/mol. Its IUPAC name is 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
PubChem CID130412652
Molecular FormulaC53H38N4
Molecular Weight730.92 g/mol
Exact Mass730.31
IUPAC Name2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6C5C=CC=CC5)ccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3cc21
InChIInChI=1S/C53H38N4/c1-53(2)44-22-12-9-19-37(44)40-31-43-42-30-35(34-25-27-48-41(29-34)38-20-11-14-24-47(38)56(48)36-17-7-4-8-18-36)26-28-49(42)57(50(43)32-45(40)53)52-54-46-23-13-10-21-39(46)51(55-52)33-15-5-3-6-16-33/h3-17,19-32,36H,18H2,1-2H3
InChIKeyLTBHXGIEUUUPHI-UHFFFAOYSA-N
XLogP13.53
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
15,15-dimethyl-7-(9-phenylcarbazol-3-yl)-11-(4-phenylquinazolin-2-yl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaene
CID 135274073
7,7-dimethyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole;7,7-dimethyl-5-phenyl-2-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]indeno[2,1-b]carbazole;2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 158685021
11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 118637348
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 164807901

Frequently Asked Questions

What is the IUPAC name of 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole?
The IUPAC name of 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole (CID 130412652) is 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole.
What is the SMILES notation for 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole?
The canonical SMILES for 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6C5C=CC=CC5)ccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3cc21.
What is the InChIKey of 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole?
The InChIKey is LTBHXGIEUUUPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4/c1-53(2)44-22-12-9-19-37(44)40-31-43-42-30-35(34-25-27-48-41(29-34)38-20-11-14-24-47(38)56(48)36-17-7-4-8-18-36)26-28-49(42)57(50(43)32-45(40)53)52-54-46-23-13-10-21-39(46)51(55-52)33-15-5-3-6-16-33/h3-17,19-32,36H,18H2,1-2H3.
What are the key properties of 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole?
2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole has a molecular weight of 730.92 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole is sourced from PubChem (CID 130412652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).