9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile

C39H21N5 — CID 139351879

IUPAC9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4c4cc(C#N)ccc4n5-c4ccccc4C#N)c32)cc1
InChIInChI=1S/C39H21N5/c40-22-25-15-18-28(19-16-25)43-35-13-4-2-8-29(35)31-10-5-11-32(39(31)43)30-9-6-14-37-38(30)33-21-26(23-41)17-20-36(33)44(37)34-12-3-1-7-27(34)24-42/h1-21H
InChIKeyLVIWWECYHQAGCX-UHFFFAOYSA-N
MW559.63 g/mol
LogP9.16
Rot. Bonds3

About 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile

9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile (PubChem CID 139351879) has the molecular formula C39H21N5 and a molecular weight of 559.63 g/mol. Its IUPAC name is 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
PubChem CID139351879
Molecular FormulaC39H21N5
Molecular Weight559.63 g/mol
Exact Mass559.18
IUPAC Name9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4c4cc(C#N)ccc4n5-c4ccccc4C#N)c32)cc1
InChIInChI=1S/C39H21N5/c40-22-25-15-18-28(19-16-25)43-35-13-4-2-8-29(35)31-10-5-11-32(39(31)43)30-9-6-14-37-38(30)33-21-26(23-41)17-20-36(33)44(37)34-12-3-1-7-27(34)24-42/h1-21H
InChIKeyLVIWWECYHQAGCX-UHFFFAOYSA-N
XLogP9.16
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.63
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile
CID 139351874
9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351913
9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
CID 139351852
6-(2-cyanophenyl)-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(12),8,10,17(25),18,20,22,26-dodecaene-10-carbonitrile
CID 146180219
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155080017
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-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958782
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[4-[2-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155080638
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile (CID 139351879) is 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4c4cc(C#N)ccc4n5-c4ccccc4C#N)c32)cc1.
What is the InChIKey of 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile?
The InChIKey is LVIWWECYHQAGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H21N5/c40-22-25-15-18-28(19-16-25)43-35-13-4-2-8-29(35)31-10-5-11-32(39(31)43)30-9-6-14-37-38(30)33-21-26(23-41)17-20-36(33)44(37)34-12-3-1-7-27(34)24-42/h1-21H.
What are the key properties of 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile?
9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile has a molecular weight of 559.63 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 139351879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).