5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile

C55H33N5 — CID 134598027

IUPAC5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c3c(ccc4c5cc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)ccc5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1
InChIInChI=1S/C55H33N5/c56-34-35-24-26-44-51(32-35)58(37-16-6-2-7-17-37)50-31-28-42-45-33-39(25-29-48(45)59(55(42)53(44)50)38-18-8-3-9-19-38)60-46-22-12-10-20-40(46)41-27-30-49-52(54(41)60)43-21-11-13-23-47(43)57(49)36-14-4-1-5-15-36/h1-33H
InChIKeyLOXXXWNOGBUXOV-UHFFFAOYSA-N
MW763.90 g/mol
LogP13.95
Rot. Bonds4

About 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile

5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile (PubChem CID 134598027) has the molecular formula C55H33N5 and a molecular weight of 763.90 g/mol. Its IUPAC name is 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile.

Molecular Properties

Compound Name5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
PubChem CID134598027
Molecular FormulaC55H33N5
Molecular Weight763.90 g/mol
Exact Mass763.27
IUPAC Name5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c3c(ccc4c5cc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)ccc5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1
InChIInChI=1S/C55H33N5/c56-34-35-24-26-44-51(32-35)58(37-16-6-2-7-17-37)50-31-28-42-45-33-39(25-29-48(45)59(55(42)53(44)50)38-18-8-3-9-19-38)60-46-22-12-10-20-40(46)41-27-30-49-52(54(41)60)43-21-11-13-23-47(43)57(49)36-14-4-1-5-15-36/h1-33H
InChIKeyLOXXXWNOGBUXOV-UHFFFAOYSA-N
XLogP13.95
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.90
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
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
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[4-(11,24-diphenyl-11,15,24-triazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaen-15-yl)phenyl]sulfonylbenzonitrile
CID 175631748
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]sulfanylbenzonitrile
CID 171844554
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095
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
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298

Frequently Asked Questions

What is the IUPAC name of 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile?
The IUPAC name of 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile (CID 134598027) is 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile.
What is the SMILES notation for 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile?
The canonical SMILES for 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile is N#Cc1ccc2c3c(ccc4c5cc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)ccc5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1.
What is the InChIKey of 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile?
The InChIKey is LOXXXWNOGBUXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5/c56-34-35-24-26-44-51(32-35)58(37-16-6-2-7-17-37)50-31-28-42-45-33-39(25-29-48(45)59(55(42)53(44)50)38-18-8-3-9-19-38)60-46-22-12-10-20-40(46)41-27-30-49-52(54(41)60)43-21-11-13-23-47(43)57(49)36-14-4-1-5-15-36/h1-33H.
What are the key properties of 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile?
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile has a molecular weight of 763.90 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile is sourced from PubChem (CID 134598027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).