4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile

C51H28N6 — CID 154958199

IUPAC4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c(C#N)ccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)c(C#N)c1
InChIInChI=1S/C51H28N6/c52-29-33-22-26-49-50(51(33)57-46-18-8-3-13-40(46)41-14-4-9-19-47(41)57)42-15-5-10-20-48(42)55(49)36-23-24-37(34(28-36)30-53)32-21-25-43(35(27-32)31-54)56-44-16-6-1-11-38(44)39-12-2-7-17-45(39)56/h1-28H
InChIKeyAQKZIPDLLBQEQD-UHFFFAOYSA-N
MW724.83 g/mol
LogP12.26
Rot. Bonds4

About 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile

4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 154958199) has the molecular formula C51H28N6 and a molecular weight of 724.83 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile
PubChem CID154958199
Molecular FormulaC51H28N6
Molecular Weight724.83 g/mol
Exact Mass724.24
IUPAC Name4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c(C#N)ccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)c(C#N)c1
InChIInChI=1S/C51H28N6/c52-29-33-22-26-49-50(51(33)57-46-18-8-3-13-40(46)41-14-4-9-19-47(41)57)42-15-5-10-20-48(42)55(49)36-23-24-37(34(28-36)30-53)32-21-25-43(35(27-32)31-54)56-44-16-6-1-11-38(44)39-12-2-7-17-45(39)56/h1-28H
InChIKeyAQKZIPDLLBQEQD-UHFFFAOYSA-N
XLogP12.26
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.83
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 129300030
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
5-(5-carbazol-9-yl-2-cyanophenyl)-2-(2-carbazol-9-ylphenyl)benzonitrile
CID 155080790
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
2-[2-cyano-4-(2,6-diphenylcarbazol-9-yl)phenyl]-5-(2,6-diphenylcarbazol-9-yl)benzonitrile;5-[3-cyano-4-(2,6-diphenylcarbazol-9-yl)phenyl]-2-(2,6-diphenylcarbazol-9-yl)benzonitrile
CID 159321187
2-carbazol-9-yl-3-(4-carbazol-9-yl-2-cyanophenyl)benzonitrile;3-carbazol-9-yl-4-(4-carbazol-9-yl-2-cyanophenyl)benzonitrile;3-carbazol-9-yl-4-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile;4-carbazol-9-yl-3-(4-carbazol-9-yl-2-cyanophenyl)benzonitrile;4-carbazol-9-yl-3-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 158193509
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 154958170
9-[2-[3-cyano-4-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080172
9-[4-[2-cyano-4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080180
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile (CID 154958199) is 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile is N#Cc1cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c(C#N)ccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)c(C#N)c1.
What is the InChIKey of 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is AQKZIPDLLBQEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N6/c52-29-33-22-26-49-50(51(33)57-46-18-8-3-13-40(46)41-14-4-9-19-47(41)57)42-15-5-10-20-48(42)55(49)36-23-24-37(34(28-36)30-53)32-21-25-43(35(27-32)31-54)56-44-16-6-1-11-38(44)39-12-2-7-17-45(39)56/h1-28H.
What are the key properties of 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile?
4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile has a molecular weight of 724.83 g/mol, XLogP of 12.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)-3-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).