9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole

C48H38N2 — CID 126590305

IUPAC9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole
SMILESC1=CC2C3=CC(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)CC=C3N(C3C=CC(c4ccccc4)=CC3)C2C=C1
InChIInChI=1S/C48H38N2/c1-3-11-33(12-4-1)34-23-27-40(28-24-34)50-46-18-10-8-16-42(46)44-32-38(26-30-48(44)50)36-21-19-35(20-22-36)37-25-29-47-43(31-37)41-15-7-9-17-45(41)49(47)39-13-5-2-6-14-39/h1-25,27,29-32,38,40,42,46H,26,28H2
InChIKeyMTCYESIBQIWJRE-UHFFFAOYSA-N
MW642.85 g/mol
LogP11.59
Rot. Bonds5

About 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole

9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole (PubChem CID 126590305) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole
PubChem CID126590305
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC Name9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole
SMILESC1=CC2C3=CC(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)CC=C3N(C3C=CC(c4ccccc4)=CC3)C2C=C1
InChIInChI=1S/C48H38N2/c1-3-11-33(12-4-1)34-23-27-40(28-24-34)50-46-18-10-8-16-42(46)44-32-38(26-30-48(44)50)36-21-19-35(20-22-36)37-25-29-47-43(31-37)41-15-7-9-17-45(41)49(47)39-13-5-2-6-14-39/h1-25,27,29-32,38,40,42,46H,26,28H2
InChIKeyMTCYESIBQIWJRE-UHFFFAOYSA-N
XLogP11.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]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

N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
CID 166723421
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
9-(4-phenylcyclohexa-2,4-dien-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170086624
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 167211262
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 139447207
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole
CID 145156378

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole (CID 126590305) is 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole is C1=CC2C3=CC(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)CC=C3N(C3C=CC(c4ccccc4)=CC3)C2C=C1.
What is the InChIKey of 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole?
The InChIKey is MTCYESIBQIWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-3-11-33(12-4-1)34-23-27-40(28-24-34)50-46-18-10-8-16-42(46)44-32-38(26-30-48(44)50)36-21-19-35(20-22-36)37-25-29-47-43(31-37)41-15-7-9-17-45(41)49(47)39-13-5-2-6-14-39/h1-25,27,29-32,38,40,42,46H,26,28H2.
What are the key properties of 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole?
9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole has a molecular weight of 642.85 g/mol, XLogP of 11.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 126590305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).