2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile

C38H22N4 — CID 139351874

IUPAC2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4C#N)c32)cc1
InChIInChI=1S/C38H22N4/c39-23-25-19-21-27(22-20-25)41-34-16-5-2-10-28(34)30-13-7-14-31(38(30)41)29-12-8-18-36-37(29)32-11-3-6-17-35(32)42(36)33-15-4-1-9-26(33)24-40/h1-22H
InChIKeyPPKCDCRVBXLUFE-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile

2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile (PubChem CID 139351874) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile
PubChem CID139351874
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4C#N)c32)cc1
InChIInChI=1S/C38H22N4/c39-23-25-19-21-27(22-20-25)41-34-16-5-2-10-28(34)30-13-7-14-31(38(30)41)29-12-8-18-36-37(29)32-11-3-6-17-35(32)42(36)33-15-4-1-9-26(33)24-40/h1-22H
InChIKeyPPKCDCRVBXLUFE-UHFFFAOYSA-N
XLogP9.29
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351879
9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351913
2-[12-(2-cyanophenyl)indolo[3,2-c]carbazol-5-yl]benzonitrile
CID 130352969
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147442900
9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
CID 139351852
2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile
CID 139351898
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
CID 145345159
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
24-(4-cyanophenyl)-6,15-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-dodecaene-8-carbonitrile
CID 146180185
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-4-carbonitrile
CID 154958609
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile (CID 139351874) is 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4C#N)c32)cc1.
What is the InChIKey of 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile?
The InChIKey is PPKCDCRVBXLUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-19-21-27(22-20-25)41-34-16-5-2-10-28(34)30-13-7-14-31(38(30)41)29-12-8-18-36-37(29)32-11-3-6-17-35(32)42(36)33-15-4-1-9-26(33)24-40/h1-22H.
What are the key properties of 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile?
2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 139351874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).