3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

C52H32N6 — CID 170670829

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cc(-c2ccccc2)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C52H32N6/c53-33-34-31-42(35-17-5-1-6-18-35)48(43(32-34)52-55-50(36-19-7-2-8-20-36)54-51(56-52)37-21-9-3-10-22-37)58-45-28-16-14-26-41(45)47-46(58)30-29-40-39-25-13-15-27-44(39)57(49(40)47)38-23-11-4-12-24-38/h1-32H
InChIKeyUFXDVKGCNZSTII-UHFFFAOYSA-N
MW740.87 g/mol
LogP12.61
Rot. Bonds6

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 170670829) has the molecular formula C52H32N6 and a molecular weight of 740.87 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
PubChem CID170670829
Molecular FormulaC52H32N6
Molecular Weight740.87 g/mol
Exact Mass740.27
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cc(-c2ccccc2)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C52H32N6/c53-33-34-31-42(35-17-5-1-6-18-35)48(43(32-34)52-55-50(36-19-7-2-8-20-36)54-51(56-52)37-21-9-3-10-22-37)58-45-28-16-14-26-41(45)47-46(58)30-29-40-39-25-13-15-27-44(39)57(49(40)47)38-23-11-4-12-24-38/h1-32H
InChIKeyUFXDVKGCNZSTII-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

5-[3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155447467
3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 155446842
5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 138653760
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 170268316
4-[5-(2,6-diphenylpyrimidin-4-yl)-3-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 155656596
12-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280424
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280664
6-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-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-dodecaene
CID 146280994
2-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163600124
2-(5,12-diphenylindolo[3,2-c]carbazol-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582346
3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170447156
4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155656730

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (CID 170670829) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is N#Cc1cc(-c2ccccc2)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is UFXDVKGCNZSTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6/c53-33-34-31-42(35-17-5-1-6-18-35)48(43(32-34)52-55-50(36-19-7-2-8-20-36)54-51(56-52)37-21-9-3-10-22-37)58-45-28-16-14-26-41(45)47-46(58)30-29-40-39-25-13-15-27-44(39)57(49(40)47)38-23-11-4-12-24-38/h1-32H.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-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 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 170670829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).