9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile

C54H32N6 — CID 155463156

IUPAC9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C54H32N6/c55-33-35-26-28-50-43(30-35)44-31-36(34-56)27-29-51(44)60(50)52-25-13-21-41(46-32-45(37-14-3-1-4-15-37)57-54(58-46)38-16-5-2-6-17-38)53(52)42-20-9-12-24-49(42)59-47-22-10-7-18-39(47)40-19-8-11-23-48(40)59/h1-32H
InChIKeyFULUPJAAPVNMKF-UHFFFAOYSA-N
MW764.89 g/mol
LogP13.08
Rot. Bonds6

About 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile

9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 155463156) has the molecular formula C54H32N6 and a molecular weight of 764.89 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile
PubChem CID155463156
Molecular FormulaC54H32N6
Molecular Weight764.89 g/mol
Exact Mass764.27
IUPAC Name9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C54H32N6/c55-33-35-26-28-50-43(30-35)44-31-36(34-56)27-29-51(44)60(50)52-25-13-21-41(46-32-45(37-14-3-1-4-15-37)57-54(58-46)38-16-5-2-6-17-38)53(52)42-20-9-12-24-49(42)59-47-22-10-7-18-39(47)40-19-8-11-23-48(40)59/h1-32H
InChIKeyFULUPJAAPVNMKF-UHFFFAOYSA-N
XLogP13.08
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.89
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole
CID 158292213
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414575
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155462556
9-[3-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 134476174
9-[2-[2-(3,6-diisocyanocarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 155761318
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 155462551
4-[9-[2-[2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 155463043
9-[5-cyano-2-(3-cyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217697
9-[2-cyano-3-(3-cyanocarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217487
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495805
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 137414835
9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 146281051

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile (CID 155463156) is 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is FULUPJAAPVNMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6/c55-33-35-26-28-50-43(30-35)44-31-36(34-56)27-29-51(44)60(50)52-25-13-21-41(46-32-45(37-14-3-1-4-15-37)57-54(58-46)38-16-5-2-6-17-38)53(52)42-20-9-12-24-49(42)59-47-22-10-7-18-39(47)40-19-8-11-23-48(40)59/h1-32H.
What are the key properties of 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile?
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 764.89 g/mol, XLogP of 13.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 155463156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).