6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole

C47H31N3 — CID 90336700

IUPAC6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4c4ccncc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-3-9-32(10-4-1)33-19-23-39(24-20-33)50-46-26-22-37(30-43(46)41-27-28-48-31-47(41)50)35-17-15-34(16-18-35)36-21-25-45-42(29-36)40-13-7-8-14-44(40)49(45)38-11-5-2-6-12-38/h1-31H
InChIKeyWIGHDXWRAUVAEZ-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

About 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole

6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole (PubChem CID 90336700) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
PubChem CID90336700
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4c4ccncc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-3-9-32(10-4-1)33-19-23-39(24-20-33)50-46-26-22-37(30-43(46)41-27-28-48-31-47(41)50)35-17-15-34(16-18-35)36-21-25-45-42(29-36)40-13-7-8-14-44(40)49(45)38-11-5-2-6-12-38/h1-31H
InChIKeyWIGHDXWRAUVAEZ-UHFFFAOYSA-N
XLogP12.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole 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

9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole
CID 90336618
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole?
The IUPAC name of 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole (CID 90336700) is 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole.
What is the SMILES notation for 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole?
The canonical SMILES for 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4c4ccncc43)cc2)cc1.
What is the InChIKey of 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole?
The InChIKey is WIGHDXWRAUVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-9-32(10-4-1)33-19-23-39(24-20-33)50-46-26-22-37(30-43(46)41-27-28-48-31-47(41)50)35-17-15-34(16-18-35)36-21-25-45-42(29-36)40-13-7-8-14-44(40)49(45)38-11-5-2-6-12-38/h1-31H.
What are the key properties of 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole?
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole has a molecular weight of 637.79 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole is sourced from PubChem (CID 90336700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).