2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

C52H32N6 — CID 163844333

IUPAC2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1c2c3ccccc3n(-c3ccccc3)c2cc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C52H32N6/c53-33-37-31-36(52-55-50(34-17-5-1-6-18-34)54-51(56-52)35-19-7-2-8-20-35)29-30-40(37)49-47-41-25-13-15-27-43(41)57(38-21-9-3-10-22-38)45(47)32-46-48(49)42-26-14-16-28-44(42)58(46)39-23-11-4-12-24-39/h1-32H
InChIKeyDBPSDEVQHCLEAZ-UHFFFAOYSA-N
MW740.87 g/mol
LogP12.61
Rot. Bonds6

About 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 163844333) has the molecular formula C52H32N6 and a molecular weight of 740.87 g/mol. Its IUPAC name is 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID163844333
Molecular FormulaC52H32N6
Molecular Weight740.87 g/mol
Exact Mass740.27
IUPAC Name2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1c2c3ccccc3n(-c3ccccc3)c2cc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C52H32N6/c53-33-37-31-36(52-55-50(34-17-5-1-6-18-34)54-51(56-52)35-19-7-2-8-20-35)29-30-40(37)49-47-41-25-13-15-27-43(41)57(38-21-9-3-10-22-38)45(47)32-46-48(49)42-26-14-16-28-44(42)58(46)39-23-11-4-12-24-39/h1-32H
InChIKeyDBPSDEVQHCLEAZ-UHFFFAOYSA-N
XLogP12.61
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582345
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,12-diphenylindolo[2,3-b]carbazole
CID 170255499
2-(5,12-diphenylindolo[3,2-c]carbazol-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582346
5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138579613
2,5-bis(9-phenylcarbazol-3-yl)benzonitrile;4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;3-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159883869
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 126734782
5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
CID 140903236
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476292
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole
CID 170255504
5-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 126730529
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 169060002

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 163844333) is 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1c2c3ccccc3n(-c3ccccc3)c2cc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is DBPSDEVQHCLEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6/c53-33-37-31-36(52-55-50(34-17-5-1-6-18-34)54-51(56-52)35-19-7-2-8-20-35)29-30-40(37)49-47-41-25-13-15-27-43(41)57(38-21-9-3-10-22-38)45(47)32-46-48(49)42-26-14-16-28-44(42)58(46)39-23-11-4-12-24-39/h1-32H.
What are the key properties of 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 740.87 g/mol, XLogP of 12.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-diphenylindolo[2,3-b]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 163844333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).