6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile

C31H19N3 — CID 134597724

IUPAC6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C31H19N3/c32-20-21-14-16-30-26(18-21)27-19-23(15-17-31(27)33(30)22-8-2-1-3-9-22)34-28-12-6-4-10-24(28)25-11-5-7-13-29(25)34/h1-19H
InChIKeyRBDGDIDPIMQXBG-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.75
Rot. Bonds2

About 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile

6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile (PubChem CID 134597724) has the molecular formula C31H19N3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
PubChem CID134597724
Molecular FormulaC31H19N3
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C31H19N3/c32-20-21-14-16-30-26(18-21)27-19-23(15-17-31(27)33(30)22-8-2-1-3-9-22)34-28-12-6-4-10-24(28)25-11-5-7-13-29(25)34/h1-19H
InChIKeyRBDGDIDPIMQXBG-UHFFFAOYSA-N
XLogP7.75
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
CID 140823043
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile (CID 134597724) is 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1.
What is the InChIKey of 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile?
The InChIKey is RBDGDIDPIMQXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3/c32-20-21-14-16-30-26(18-21)27-19-23(15-17-31(27)33(30)22-8-2-1-3-9-22)34-28-12-6-4-10-24(28)25-11-5-7-13-29(25)34/h1-19H.
What are the key properties of 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile?
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile has a molecular weight of 433.51 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 134597724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).