3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile

C61H39N3 — CID 139319666

IUPAC3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)ccc4-c4ccccc4)ccc2n3-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C61H39N3/c62-40-41-15-12-23-49(35-41)52-26-14-28-59-61(52)55-38-47(31-34-58(55)63(59)50-24-13-22-45(36-50)42-16-4-1-5-17-42)46-30-33-57-54(37-46)53-25-10-11-27-56(53)64(57)60-39-48(43-18-6-2-7-19-43)29-32-51(60)44-20-8-3-9-21-44/h1-39H
InChIKeyKXQCEEUWIQGRMO-UHFFFAOYSA-N
MW814.00 g/mol
LogP16.09
Rot. Bonds7

About 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile

3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile (PubChem CID 139319666) has the molecular formula C61H39N3 and a molecular weight of 814.00 g/mol. Its IUPAC name is 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
PubChem CID139319666
Molecular FormulaC61H39N3
Molecular Weight814.00 g/mol
Exact Mass813.31
IUPAC Name3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)ccc4-c4ccccc4)ccc2n3-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C61H39N3/c62-40-41-15-12-23-49(35-41)52-26-14-28-59-61(52)55-38-47(31-34-58(55)63(59)50-24-13-22-45(36-50)42-16-4-1-5-17-42)46-30-33-57-54(37-46)53-25-10-11-27-56(53)64(57)60-39-48(43-18-6-2-7-19-43)29-32-51(60)44-20-8-3-9-21-44/h1-39H
InChIKeyKXQCEEUWIQGRMO-UHFFFAOYSA-N
XLogP16.09
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile 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

3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 139319523
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-5,9-diphenylcarbazole;3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole;5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole;5-phenyl-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159660709
3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 135264731
3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 170133983
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
3-[4-[9-(2,4-diphenylphenyl)-6-phenylcarbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole;3-[4-[9-(2,4-diphenylphenyl)-6-phenylcarbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole;3-[4-[9-(2,5-diphenylphenyl)-6-phenylcarbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole
CID 159801805
5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418251

Frequently Asked Questions

What is the IUPAC name of 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile?
The IUPAC name of 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile (CID 139319666) is 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile.
What is the SMILES notation for 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile?
The canonical SMILES for 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile is N#Cc1cccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)ccc4-c4ccccc4)ccc2n3-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile?
The InChIKey is KXQCEEUWIQGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3/c62-40-41-15-12-23-49(35-41)52-26-14-28-59-61(52)55-38-47(31-34-58(55)63(59)50-24-13-22-45(36-50)42-16-4-1-5-17-42)46-30-33-57-54(37-46)53-25-10-11-27-56(53)64(57)60-39-48(43-18-6-2-7-19-43)29-32-51(60)44-20-8-3-9-21-44/h1-39H.
What are the key properties of 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile?
3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile has a molecular weight of 814.00 g/mol, XLogP of 16.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile is sourced from PubChem (CID 139319666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).