4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile

C47H25N7 — CID 163994114

IUPAC4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile
SMILESN#Cc1cc(C#N)c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3C#N)c2c1
InChIInChI=1S/C47H25N7/c48-26-29-23-32(28-50)44-39(24-29)45(52-47(51-44)30-11-3-1-4-12-30)35-20-19-34(25-31(35)27-49)54-40-17-9-7-15-36(40)37-21-22-42-43(46(37)54)38-16-8-10-18-41(38)53(42)33-13-5-2-6-14-33/h1-25H
InChIKeyUDEWHHKJOOLBON-UHFFFAOYSA-N
MW687.77 g/mol
LogP10.77
Rot. Bonds4

About 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile

4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile (PubChem CID 163994114) has the molecular formula C47H25N7 and a molecular weight of 687.77 g/mol. Its IUPAC name is 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile.

Molecular Properties

Compound Name4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile
PubChem CID163994114
Molecular FormulaC47H25N7
Molecular Weight687.77 g/mol
Exact Mass687.22
IUPAC Name4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile
SMILESN#Cc1cc(C#N)c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3C#N)c2c1
InChIInChI=1S/C47H25N7/c48-26-29-23-32(28-50)44-39(24-29)45(52-47(51-44)30-11-3-1-4-12-30)35-20-19-34(25-31(35)27-49)54-40-17-9-7-15-36(40)37-21-22-42-43(46(37)54)38-16-8-10-18-41(38)53(42)33-13-5-2-6-14-33/h1-25H
InChIKeyUDEWHHKJOOLBON-UHFFFAOYSA-N
XLogP10.77
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.77
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile with MolForge

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Related Compounds

2-(5,12-diphenylindolo[3,2-c]carbazol-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582346
2-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582345
4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664969
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170670829
5-[3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155447467
2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
CID 140903238
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
9-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-9-carbonitrile
CID 161446776
3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 155446842
5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile
CID 160551737
5-(5-cyano-2,6-diphenylpyrimidin-4-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 170253873
9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 134508127

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile?
The IUPAC name of 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile (CID 163994114) is 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile.
What is the SMILES notation for 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile?
The canonical SMILES for 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile is N#Cc1cc(C#N)c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3C#N)c2c1.
What is the InChIKey of 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile?
The InChIKey is UDEWHHKJOOLBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H25N7/c48-26-29-23-32(28-50)44-39(24-29)45(52-47(51-44)30-11-3-1-4-12-30)35-20-19-34(25-31(35)27-49)54-40-17-9-7-15-36(40)37-21-22-42-43(46(37)54)38-16-8-10-18-41(38)53(42)33-13-5-2-6-14-33/h1-25H.
What are the key properties of 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile?
4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile has a molecular weight of 687.77 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyano-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-2-phenylquinazoline-6,8-dicarbonitrile is sourced from PubChem (CID 163994114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).