12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile

C43H26N4 — CID 134597900

IUPAC12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c3ccccc3n(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c12
InChIInChI=1S/C43H26N4/c44-27-28-26-35-32-19-8-11-23-37(32)46(30-16-5-2-6-17-30)43(35)40-34-20-9-12-24-38(34)47(41(28)40)39-25-13-21-33-31-18-7-10-22-36(31)45(42(33)39)29-14-3-1-4-15-29/h1-26H
InChIKeyPMJLBBXSNYIIIE-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.85
Rot. Bonds3

About 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile

12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile (PubChem CID 134597900) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile.

Molecular Properties

Compound Name12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile
PubChem CID134597900
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c3ccccc3n(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c12
InChIInChI=1S/C43H26N4/c44-27-28-26-35-32-19-8-11-23-37(32)46(30-16-5-2-6-17-30)43(35)40-34-20-9-12-24-38(34)47(41(28)40)39-25-13-21-33-31-18-7-10-22-36(31)45(42(33)39)29-14-3-1-4-15-29/h1-26H
InChIKeyPMJLBBXSNYIIIE-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

3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
CID 155131704
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598012
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile
CID 161026535
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147442900
4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile
CID 170268509

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile?
The IUPAC name of 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile (CID 134597900) is 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile.
What is the SMILES notation for 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile?
The canonical SMILES for 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile is N#Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c3ccccc3n(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c12.
What is the InChIKey of 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile?
The InChIKey is PMJLBBXSNYIIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c44-27-28-26-35-32-19-8-11-23-37(32)46(30-16-5-2-6-17-30)43(35)40-34-20-9-12-24-38(34)47(41(28)40)39-25-13-21-33-31-18-7-10-22-36(31)45(42(33)39)29-14-3-1-4-15-29/h1-26H.
What are the key properties of 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile?
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-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 12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile is sourced from PubChem (CID 134597900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).