9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile

C37H25N3 — CID 163835714

IUPAC9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile
SMILESN#Cc1cc(-c2cccc3c2C2C=CC=CC2N3c2ccccc2)cc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C37H25N3/c38-24-26-22-25(23-32-30-16-7-9-19-33(30)40(37(26)32)28-14-5-2-6-15-28)29-18-11-21-35-36(29)31-17-8-10-20-34(31)39(35)27-12-3-1-4-13-27/h1-23,31,34H
InChIKeyOHOMXAFQMSHRID-UHFFFAOYSA-N
MW511.63 g/mol
LogP9.05
Rot. Bonds3

About 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile

9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile (PubChem CID 163835714) has the molecular formula C37H25N3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile
PubChem CID163835714
Molecular FormulaC37H25N3
Molecular Weight511.63 g/mol
Exact Mass511.20
IUPAC Name9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile
SMILESN#Cc1cc(-c2cccc3c2C2C=CC=CC2N3c2ccccc2)cc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C37H25N3/c38-24-26-22-25(23-32-30-16-7-9-19-33(30)40(37(26)32)28-14-5-2-6-15-28)29-18-11-21-35-36(29)31-17-8-10-20-34(31)39(35)27-12-3-1-4-13-27/h1-23,31,34H
InChIKeyOHOMXAFQMSHRID-UHFFFAOYSA-N
XLogP9.05
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile 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

5-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 167280974
7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 170208199
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706
9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole
CID 175616668
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile
CID 134597900
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 174273797
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazole
CID 134271208
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 123926363
3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile
CID 167280093

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile?
The IUPAC name of 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile (CID 163835714) is 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile.
What is the SMILES notation for 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile?
The canonical SMILES for 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile is N#Cc1cc(-c2cccc3c2C2C=CC=CC2N3c2ccccc2)cc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile?
The InChIKey is OHOMXAFQMSHRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3/c38-24-26-22-25(23-32-30-16-7-9-19-33(30)40(37(26)32)28-14-5-2-6-15-28)29-18-11-21-35-36(29)31-17-8-10-20-34(31)39(35)27-12-3-1-4-13-27/h1-23,31,34H.
What are the key properties of 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile?
9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile has a molecular weight of 511.63 g/mol, XLogP of 9.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile is sourced from PubChem (CID 163835714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).