3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile

C52H34N6 — CID 140922422

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccccc5)cc43)c2)c1
InChIInChI=1S/C52H34N6/c53-35-36-16-15-21-39(30-36)40-31-41(52-55-50(37-17-5-1-6-18-37)54-51(56-52)38-19-7-2-8-20-38)33-45(32-40)58-48-27-14-13-26-46(48)47-29-28-44(34-49(47)58)57(42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-34H
InChIKeySEPIIYIPOYUYMR-UHFFFAOYSA-N
MW742.89 g/mol
LogP12.98
Rot. Bonds8

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile (PubChem CID 140922422) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile
PubChem CID140922422
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccccc5)cc43)c2)c1
InChIInChI=1S/C52H34N6/c53-35-36-16-15-21-39(30-36)40-31-41(52-55-50(37-17-5-1-6-18-37)54-51(56-52)38-19-7-2-8-20-38)33-45(32-40)58-48-27-14-13-26-46(48)47-29-28-44(34-49(47)58)57(42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-34H
InChIKeySEPIIYIPOYUYMR-UHFFFAOYSA-N
XLogP12.98
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 161408027
5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile
CID 140922346
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 129225847
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile
CID 129225843
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662
4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166900277
3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 144596106
9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
CID 139303922
9-[3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 58943250
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 140922255
4-[4-phenyl-6-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]benzonitrile
CID 126730725

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile (CID 140922422) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccccc5)cc43)c2)c1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is SEPIIYIPOYUYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c53-35-36-16-15-21-39(30-36)40-31-41(52-55-50(37-17-5-1-6-18-37)54-51(56-52)38-19-7-2-8-20-38)33-45(32-40)58-48-27-14-13-26-46(48)47-29-28-44(34-49(47)58)57(42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-34H.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 742.89 g/mol, XLogP of 12.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 140922422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).