3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile

C31H19N3 — CID 134597706

IUPAC3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C31H19N3/c32-20-21-18-23(33-28-15-7-4-12-24(28)25-13-5-8-16-29(25)33)19-27-26-14-6-9-17-30(26)34(31(21)27)22-10-2-1-3-11-22/h1-19H
InChIKeyMGWUDPQCNJXAAA-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.75
Rot. Bonds2

About 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile

3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile (PubChem CID 134597706) has the molecular formula C31H19N3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
PubChem CID134597706
Molecular FormulaC31H19N3
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C31H19N3/c32-20-21-18-23(33-28-15-7-4-12-24(28)25-13-5-8-16-29(25)33)19-27-26-14-6-9-17-30(26)34(31(21)27)22-10-2-1-3-11-22/h1-19H
InChIKeyMGWUDPQCNJXAAA-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

9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598012
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile
CID 134597900
3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
CID 155131704
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
3,5-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572197
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile?
The IUPAC name of 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile (CID 134597706) is 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile.
What is the SMILES notation for 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile?
The canonical SMILES for 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)cc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile?
The InChIKey is MGWUDPQCNJXAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3/c32-20-21-18-23(33-28-15-7-4-12-24(28)25-13-5-8-16-29(25)33)19-27-26-14-6-9-17-30(26)34(31(21)27)22-10-2-1-3-11-22/h1-19H.
What are the key properties of 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile?
3-carbazol-9-yl-9-phenylcarbazole-1-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 3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile is sourced from PubChem (CID 134597706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).