9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile

C37H21N5 — CID 139574980

IUPAC9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4ccncc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C37H21N5/c38-21-24-12-13-36-33(18-24)31-9-2-4-11-35(31)42(36)29-17-25(22-39)16-27(20-29)26-6-5-7-28(19-26)41-34-10-3-1-8-30(34)32-14-15-40-23-37(32)41/h1-20,23H
InChIKeyPYSUEHCHYPBMAE-UHFFFAOYSA-N
MW535.61 g/mol
LogP8.69
Rot. Bonds3

About 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile

9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 139574980) has the molecular formula C37H21N5 and a molecular weight of 535.61 g/mol. Its IUPAC name is 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
PubChem CID139574980
Molecular FormulaC37H21N5
Molecular Weight535.61 g/mol
Exact Mass535.18
IUPAC Name9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4ccncc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C37H21N5/c38-21-24-12-13-36-33(18-24)31-9-2-4-11-35(31)42(36)29-17-25(22-39)16-27(20-29)26-6-5-7-28(19-26)41-34-10-3-1-8-30(34)32-14-15-40-23-37(32)41/h1-20,23H
InChIKeyPYSUEHCHYPBMAE-UHFFFAOYSA-N
XLogP8.69
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-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

9-[3-cyano-5-[3-(20-oxa-3,6-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574947
9-[3-cyano-5-[3-(9-thia-17,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139575283
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574439
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
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
9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542671

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile (CID 139574980) is 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile is N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccncc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is PYSUEHCHYPBMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5/c38-21-24-12-13-36-33(18-24)31-9-2-4-11-35(31)42(36)29-17-25(22-39)16-27(20-29)26-6-5-7-28(19-26)41-34-10-3-1-8-30(34)32-14-15-40-23-37(32)41/h1-20,23H.
What are the key properties of 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile?
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 535.61 g/mol, XLogP of 8.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 139574980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).