4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile

C43H25N5 — CID 155081255

IUPAC4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(-n3c4ccccc4c4ccncc43)cc2C#N)c1
InChIInChI=1S/C43H25N5/c44-25-28-17-19-32(33-9-1-6-14-40(33)48-41-15-7-3-10-34(41)35-11-4-8-16-42(35)48)38(23-28)31-20-18-30(24-29(31)26-45)47-39-13-5-2-12-36(39)37-21-22-46-27-43(37)47/h1-24,27H
InChIKeyOLYKUGKVRXNGQB-UHFFFAOYSA-N
MW611.71 g/mol
LogP10.35
Rot. Bonds4

About 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile

4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile (PubChem CID 155081255) has the molecular formula C43H25N5 and a molecular weight of 611.71 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile
PubChem CID155081255
Molecular FormulaC43H25N5
Molecular Weight611.71 g/mol
Exact Mass611.21
IUPAC Name4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(-n3c4ccccc4c4ccncc43)cc2C#N)c1
InChIInChI=1S/C43H25N5/c44-25-28-17-19-32(33-9-1-6-14-40(33)48-41-15-7-3-10-34(41)35-11-4-8-16-42(35)48)38(23-28)31-20-18-30(24-29(31)26-45)47-39-13-5-2-12-36(39)37-21-22-46-27-43(37)47/h1-24,27H
InChIKeyOLYKUGKVRXNGQB-UHFFFAOYSA-N
XLogP10.35
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.71
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079511
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
9-[3-cyano-4-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080021
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542601
9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958735
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
3-carbazol-9-yl-4-[2-(5-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155080664
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile (CID 155081255) is 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile is N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(-n3c4ccccc4c4ccncc43)cc2C#N)c1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile?
The InChIKey is OLYKUGKVRXNGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5/c44-25-28-17-19-32(33-9-1-6-14-40(33)48-41-15-7-3-10-34(41)35-11-4-8-16-42(35)48)38(23-28)31-20-18-30(24-29(31)26-45)47-39-13-5-2-12-36(39)37-21-22-46-27-43(37)47/h1-24,27H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile?
4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile has a molecular weight of 611.71 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 155081255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).