9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile

C38H22N4 — CID 139351852

IUPAC9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
SMILESN#Cc1cccc(-n2c3ccc(C#N)cc3c3c(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cccc32)c1
InChIInChI=1S/C38H22N4/c39-23-25-9-6-12-28(21-25)41-35-20-19-26(24-40)22-33(35)37-30(14-8-18-36(37)41)32-16-7-15-31-29-13-4-5-17-34(29)42(38(31)32)27-10-2-1-3-11-27/h1-22H
InChIKeyAWVLJQBRWQQQPZ-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile

9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile (PubChem CID 139351852) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
PubChem CID139351852
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
SMILESN#Cc1cccc(-n2c3ccc(C#N)cc3c3c(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cccc32)c1
InChIInChI=1S/C38H22N4/c39-23-25-9-6-12-28(21-25)41-35-20-19-26(24-40)22-33(35)37-30(14-8-18-36(37)41)32-16-7-15-31-29-13-4-5-17-34(29)42(38(31)32)27-10-2-1-3-11-27/h1-22H
InChIKeyAWVLJQBRWQQQPZ-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

8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
CID 139351890
9-(2-cyanophenyl)-5-[9-(4-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351879
8-[9-(3-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole-3-carbonitrile
CID 140759896
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
6-(4-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 146180291
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
15-(3-cyanophenyl)-6,24-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-dodecaene-8-carbonitrile
CID 146180213
9-[2-[6-isocyano-9-(3-isocyanophenyl)carbazol-4-yl]phenyl]carbazole-3-carbonitrile
CID 140760338

Frequently Asked Questions

What is the IUPAC name of 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile (CID 139351852) is 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile is N#Cc1cccc(-n2c3ccc(C#N)cc3c3c(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cccc32)c1.
What is the InChIKey of 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile?
The InChIKey is AWVLJQBRWQQQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-9-6-12-28(21-25)41-35-20-19-26(24-40)22-33(35)37-30(14-8-18-36(37)41)32-16-7-15-31-29-13-4-5-17-34(29)42(38(31)32)27-10-2-1-3-11-27/h1-22H.
What are the key properties of 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile?
9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile 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 9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 139351852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).