9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile

C43H26N4 — CID 134597762

IUPAC9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C43H26N4/c44-27-28-25-31(26-36-33-18-8-11-21-38(33)46(42(28)36)29-13-3-1-4-14-29)45-39-22-12-9-19-35(39)41-40(45)24-23-34-32-17-7-10-20-37(32)47(43(34)41)30-15-5-2-6-16-30/h1-26H
InChIKeyHXJIRMUWQSBNKT-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.85
Rot. Bonds3

About 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile

9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile (PubChem CID 134597762) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
PubChem CID134597762
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C43H26N4/c44-27-28-25-31(26-36-33-18-8-11-21-38(33)46(42(28)36)29-13-3-1-4-14-29)45-39-22-12-9-19-35(39)41-40(45)24-23-34-32-17-7-10-20-37(32)47(43(34)41)30-15-5-2-6-16-30/h1-26H
InChIKeyHXJIRMUWQSBNKT-UHFFFAOYSA-N
XLogP10.85
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile
CID 170268509
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
CID 134597839
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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile?
The IUPAC name of 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile (CID 134597762) is 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile.
What is the SMILES notation for 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile?
The canonical SMILES for 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile is N#Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile?
The InChIKey is HXJIRMUWQSBNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c44-27-28-25-31(26-36-33-18-8-11-21-38(33)46(42(28)36)29-13-3-1-4-14-29)45-39-22-12-9-19-35(39)41-40(45)24-23-34-32-17-7-10-20-37(32)47(43(34)41)30-15-5-2-6-16-30/h1-26H.
What are the key properties of 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile?
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile has a molecular weight of 598.71 g/mol, XLogP of 10.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile is sourced from PubChem (CID 134597762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).