9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile

C44H25N5 — CID 145345259

IUPAC9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c12
InChIInChI=1S/C44H25N5/c45-26-28-17-20-41-35(23-28)36-24-29(27-46)18-21-42(36)49(41)43-16-8-13-34-32-11-4-7-15-39(32)48(44(34)43)31-19-22-40-37(25-31)33-12-5-6-14-38(33)47(40)30-9-2-1-3-10-30/h1-25H
InChIKeyKPLROKMYBHEKHQ-UHFFFAOYSA-N
MW623.72 g/mol
LogP10.72
Rot. Bonds3

About 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile

9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile (PubChem CID 145345259) has the molecular formula C44H25N5 and a molecular weight of 623.72 g/mol. Its IUPAC name is 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
PubChem CID145345259
Molecular FormulaC44H25N5
Molecular Weight623.72 g/mol
Exact Mass623.21
IUPAC Name9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c12
InChIInChI=1S/C44H25N5/c45-26-28-17-20-41-35(23-28)36-24-29(27-46)18-21-42(36)49(41)43-16-8-13-34-32-11-4-7-15-39(32)48(44(34)43)31-19-22-40-37(25-31)33-12-5-6-14-38(33)47(40)30-9-2-1-3-10-30/h1-25H
InChIKeyKPLROKMYBHEKHQ-UHFFFAOYSA-N
XLogP10.72
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.72
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
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-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958735
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918

Frequently Asked Questions

What is the IUPAC name of 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile (CID 145345259) is 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c12.
What is the InChIKey of 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is KPLROKMYBHEKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5/c45-26-28-17-20-41-35(23-28)36-24-29(27-46)18-21-42(36)49(41)43-16-8-13-34-32-11-4-7-15-39(32)48(44(34)43)31-19-22-40-37(25-31)33-12-5-6-14-38(33)47(40)30-9-2-1-3-10-30/h1-25H.
What are the key properties of 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile?
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 623.72 g/mol, XLogP of 10.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 145345259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).