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

C56H32N6 — CID 166572232

IUPAC2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(C#N)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C56H32N6/c57-33-35-31-39(61-46-23-11-7-19-40(46)42-27-29-50-52(55(42)61)44-21-9-13-25-48(44)59(50)37-15-3-1-4-16-37)32-36(34-58)54(35)62-47-24-12-8-20-41(47)43-28-30-51-53(56(43)62)45-22-10-14-26-49(45)60(51)38-17-5-2-6-18-38/h1-32H
InChIKeyNTUQMHKXIIRZRI-UHFFFAOYSA-N
MW788.91 g/mol
LogP13.82
Rot. Bonds4

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

2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile (PubChem CID 166572232) has the molecular formula C56H32N6 and a molecular weight of 788.91 g/mol. Its IUPAC name is 2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
PubChem CID166572232
Molecular FormulaC56H32N6
Molecular Weight788.91 g/mol
Exact Mass788.27
IUPAC Name2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(C#N)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C56H32N6/c57-33-35-31-39(61-46-23-11-7-19-40(46)42-27-29-50-52(55(42)61)44-21-9-13-25-48(44)59(50)37-15-3-1-4-16-37)32-36(34-58)54(35)62-47-24-12-8-20-41(47)43-28-30-51-53(56(43)62)45-22-10-14-26-49(45)60(51)38-17-5-2-6-18-38/h1-32H
InChIKeyNTUQMHKXIIRZRI-UHFFFAOYSA-N
XLogP13.82
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.91
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile
CID 170268509
12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
CID 134597839
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-(5-cyano-2,6-diphenylpyrimidin-4-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 170253873
2,4,5-tri(carbazol-9-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166855757
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile (CID 166572232) is 2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(C#N)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.
What is the InChIKey of 2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The InChIKey is NTUQMHKXIIRZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6/c57-33-35-31-39(61-46-23-11-7-19-40(46)42-27-29-50-52(55(42)61)44-21-9-13-25-48(44)59(50)37-15-3-1-4-16-37)32-36(34-58)54(35)62-47-24-12-8-20-41(47)43-28-30-51-53(56(43)62)45-22-10-14-26-49(45)60(51)38-17-5-2-6-18-38/h1-32H.
What are the key properties of 2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile?
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile has a molecular weight of 788.91 g/mol, XLogP of 13.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166572232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).