2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile

C44H26N4 — CID 155081382

IUPAC2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1cc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2C#N)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-23-32(25-33(24-29)47-41-17-7-2-12-35(41)36-13-3-8-18-42(36)47)39-26-30(21-22-31(39)28-46)34-11-1-6-16-40(34)48-43-19-9-4-14-37(43)38-15-5-10-20-44(38)48/h1-26H
InChIKeyJQUYWCCIZFFHIQ-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile

2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile (PubChem CID 155081382) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
PubChem CID155081382
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1cc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2C#N)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-23-32(25-33(24-29)47-41-17-7-2-12-35(41)36-13-3-8-18-42(36)47)39-26-30(21-22-31(39)28-46)34-11-1-6-16-40(34)48-43-19-9-4-14-37(43)38-15-5-10-20-44(38)48/h1-26H
InChIKeyJQUYWCCIZFFHIQ-UHFFFAOYSA-N
XLogP10.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
2-(3-carbazol-9-yl-5-cyanophenyl)-5-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604960
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079979
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
CID 155080790
3-(2-carbazol-9-ylphenyl)-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzonitrile
CID 167507200
3-carbazol-9-yl-2-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]benzonitrile
CID 155079904

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile?
The IUPAC name of 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile (CID 155081382) is 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile?
The canonical SMILES for 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile is N#Cc1cc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2C#N)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile?
The InChIKey is JQUYWCCIZFFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-23-32(25-33(24-29)47-41-17-7-2-12-35(41)36-13-3-8-18-42(36)47)39-26-30(21-22-31(39)28-46)34-11-1-6-16-40(34)48-43-19-9-4-14-37(43)38-15-5-10-20-44(38)48/h1-26H.
What are the key properties of 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile?
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 155081382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).