2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile

C56H33N5 — CID 147481564

IUPAC2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1-c1ccccc1
InChIInChI=1S/C56H33N5/c57-34-37-16-13-17-38(35-58)54(37)44-28-26-41(32-47(44)36-14-3-1-4-15-36)61-52-30-27-40(60-49-23-10-7-20-42(49)43-21-8-11-24-50(43)60)33-48(52)45-29-31-53-55(56(45)61)46-22-9-12-25-51(46)59(53)39-18-5-2-6-19-39/h1-33H
InChIKeyFDTDGJRRXVAFSJ-UHFFFAOYSA-N
MW775.92 g/mol
LogP14.06
Rot. Bonds5

About 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile

2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile (PubChem CID 147481564) has the molecular formula C56H33N5 and a molecular weight of 775.92 g/mol. Its IUPAC name is 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
PubChem CID147481564
Molecular FormulaC56H33N5
Molecular Weight775.92 g/mol
Exact Mass775.27
IUPAC Name2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1-c1ccccc1
InChIInChI=1S/C56H33N5/c57-34-37-16-13-17-38(35-58)54(37)44-28-26-41(32-47(44)36-14-3-1-4-15-36)61-52-30-27-40(60-49-23-10-7-20-42(49)43-21-8-11-24-50(43)60)33-48(52)45-29-31-53-55(56(45)61)46-22-9-12-25-51(46)59(53)39-18-5-2-6-19-39/h1-33H
InChIKeyFDTDGJRRXVAFSJ-UHFFFAOYSA-N
XLogP14.06
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.92
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903284
2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
CID 140903238
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 140903215
12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
CID 134597839
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
CID 155357747
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile (CID 147481564) is 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1-c1ccccc1.
What is the InChIKey of 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile?
The InChIKey is FDTDGJRRXVAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5/c57-34-37-16-13-17-38(35-58)54(37)44-28-26-41(32-47(44)36-14-3-1-4-15-36)61-52-30-27-40(60-49-23-10-7-20-42(49)43-21-8-11-24-50(43)60)33-48(52)45-29-31-53-55(56(45)61)46-22-9-12-25-51(46)59(53)39-18-5-2-6-19-39/h1-33H.
What are the key properties of 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile?
2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile has a molecular weight of 775.92 g/mol, XLogP of 14.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 147481564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).