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

C44H26N4 — CID 140903238

IUPAC2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2-c2ccccc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-19-20-31(28-46)38(25-29)34-22-21-33(26-39(34)30-11-3-1-4-12-30)47-41-18-10-8-16-37(41)43-42(47)24-23-36-35-15-7-9-17-40(35)48(44(36)43)32-13-5-2-6-14-32/h1-26H
InChIKeyVOVBZGITVBTUNH-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

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

2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile (PubChem CID 140903238) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
PubChem CID140903238
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2-c2ccccc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-19-20-31(28-46)38(25-29)34-22-21-33(26-39(34)30-11-3-1-4-12-30)47-41-18-10-8-16-37(41)43-42(47)24-23-36-35-15-7-9-17-40(35)48(44(36)43)32-13-5-2-6-14-32/h1-26H
InChIKeyVOVBZGITVBTUNH-UHFFFAOYSA-N
XLogP10.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
CID 147481564
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
2-[2,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzene-1,4-dicarbonitrile;2-[2,6-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzene-1,4-dicarbonitrile;3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile;2-[2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzene-1,4-dicarbonitrile
CID 159219819
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
4-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2,6-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903284
4-(15,24-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-dodecaen-6-yl)-3-phenylbenzonitrile
CID 146180146
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875
6-(4-cyanophenyl)-15,24-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(12),8,10,17(25),18,20,22,26-dodecaene-10-carbonitrile
CID 146180291
2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile
CID 140903234
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile (CID 140903238) is 2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2-c2ccccc2)c1.
What is the InChIKey of 2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile?
The InChIKey is VOVBZGITVBTUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-19-20-31(28-46)38(25-29)34-22-21-33(26-39(34)30-11-3-1-4-12-30)47-41-18-10-8-16-37(41)43-42(47)24-23-36-35-15-7-9-17-40(35)48(44(36)43)32-13-5-2-6-14-32/h1-26H.
What are the key properties of 2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile?
2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 140903238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).