9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile

C29H14N8 — CID 171607192

IUPAC9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)c(-c3ncc(C#N)cn3)c2)nc1
InChIInChI=1S/C29H14N8/c30-11-18-5-7-26-23(9-18)22-3-1-2-4-25(22)37(26)27-8-6-21(28-33-14-19(12-31)15-34-28)10-24(27)29-35-16-20(13-32)17-36-29/h1-10,14-17H
InChIKeyPJWJMFRJSLAQRF-UHFFFAOYSA-N
MW474.49 g/mol
LogP5.31
Rot. Bonds3

About 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile

9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 171607192) has the molecular formula C29H14N8 and a molecular weight of 474.49 g/mol. Its IUPAC name is 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
PubChem CID171607192
Molecular FormulaC29H14N8
Molecular Weight474.49 g/mol
Exact Mass474.13
IUPAC Name9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)c(-c3ncc(C#N)cn3)c2)nc1
InChIInChI=1S/C29H14N8/c30-11-18-5-7-26-23(9-18)22-3-1-2-4-25(22)37(26)27-8-6-21(28-33-14-19(12-31)15-34-28)10-24(27)29-35-16-20(13-32)17-36-29/h1-10,14-17H
InChIKeyPJWJMFRJSLAQRF-UHFFFAOYSA-N
XLogP5.31
TPSA127.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(5-cyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile
CID 171607155
2-[3-(5-cyanopyrimidin-2-yl)-4-[3-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]pyrimidine-5-carbonitrile
CID 171607162
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
2-[3-(5-cyanopyrimidin-2-yl)-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyrimidine-5-carbonitrile
CID 171607158
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(5-phenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 164744322
2-[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(5-cyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile
CID 171607128
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414575
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164743992
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170445850
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421119
2-[4-(3H-carbazol-3-id-9-yl)-3-(2-cyanopyrimidin-5-yl)phenyl]pyrimidine-5-carbonitrile;ruthenium(1+)
CID 165401557
2-[3-cyano-4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]pyrimidine-5-carbonitrile
CID 171739699

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile (CID 171607192) is 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile is N#Cc1cnc(-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)c(-c3ncc(C#N)cn3)c2)nc1.
What is the InChIKey of 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is PJWJMFRJSLAQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H14N8/c30-11-18-5-7-26-23(9-18)22-3-1-2-4-25(22)37(26)27-8-6-21(28-33-14-19(12-31)15-34-28)10-24(27)29-35-16-20(13-32)17-36-29/h1-10,14-17H.
What are the key properties of 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile?
9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 474.49 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(5-cyanopyrimidin-2-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 171607192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).