5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile

C32H18N4 — CID 145345087

IUPAC5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c1
InChIInChI=1S/C32H18N4/c33-19-21-16-22(20-34)18-23(17-21)35-28-12-4-3-10-26(28)27-11-7-15-31(32(27)35)36-29-13-5-1-8-24(29)25-9-2-6-14-30(25)36/h1-18H
InChIKeyMOMMMFCYTQNHEU-UHFFFAOYSA-N
MW458.52 g/mol
LogP7.62
Rot. Bonds2

About 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile

5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 145345087) has the molecular formula C32H18N4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID145345087
Molecular FormulaC32H18N4
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c1
InChIInChI=1S/C32H18N4/c33-19-21-16-22(20-34)18-23(17-21)35-28-12-4-3-10-26(28)27-11-7-15-31(32(27)35)36-29-13-5-1-8-24(29)25-9-2-6-14-30(25)36/h1-18H
InChIKeyMOMMMFCYTQNHEU-UHFFFAOYSA-N
XLogP7.62
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
4-[1-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]benzonitrile
CID 145345165
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958564
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 152884793
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 148661085

Frequently Asked Questions

What is the IUPAC name of 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 145345087) is 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c1.
What is the InChIKey of 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is MOMMMFCYTQNHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4/c33-19-21-16-22(20-34)18-23(17-21)35-28-12-4-3-10-26(28)27-11-7-15-31(32(27)35)36-29-13-5-1-8-24(29)25-9-2-6-14-30(25)36/h1-18H.
What are the key properties of 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 458.52 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 145345087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).