2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile

C32H19N3 — CID 155357747

IUPAC2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1c(-c2ccccc2)ccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C32H19N3/c33-20-23-12-9-13-24(21-34)30(23)32-26(22-10-3-1-4-11-22)18-19-29-31(32)27-16-7-8-17-28(27)35(29)25-14-5-2-6-15-25/h1-19H
InChIKeyRYRFRSGBMHKCMK-UHFFFAOYSA-N
MW445.53 g/mol
LogP7.86
Rot. Bonds3

About 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile

2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile (PubChem CID 155357747) has the molecular formula C32H19N3 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
PubChem CID155357747
Molecular FormulaC32H19N3
Molecular Weight445.53 g/mol
Exact Mass445.16
IUPAC Name2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1c(-c2ccccc2)ccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C32H19N3/c33-20-23-12-9-13-24(21-34)30(23)32-26(22-10-3-1-4-11-22)18-19-29-31(32)27-16-7-8-17-28(27)35(29)25-14-5-2-6-15-25/h1-19H
InChIKeyRYRFRSGBMHKCMK-UHFFFAOYSA-N
XLogP7.86
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645713
2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
CID 147481564
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357386
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzene-1,3-dicarbonitrile
CID 174169868
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
4-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 146180148
2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163844333
2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 122433645

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile (CID 155357747) is 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1c(-c2ccccc2)ccc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile?
The InChIKey is RYRFRSGBMHKCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3/c33-20-23-12-9-13-24(21-34)30(23)32-26(22-10-3-1-4-11-22)18-19-29-31(32)27-16-7-8-17-28(27)35(29)25-14-5-2-6-15-25/h1-19H.
What are the key properties of 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile?
2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile has a molecular weight of 445.53 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).