2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

C53H33N7 — CID 169296947

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C53H33N7/c54-34-47-44(39-24-12-26-41(32-39)51-56-48(36-17-4-1-5-18-36)55-49(57-51)37-19-6-2-7-20-37)29-15-30-45(47)40-25-13-27-42(33-40)52-58-50(38-21-8-3-9-22-38)59-53(60-52)46-31-14-23-35-16-10-11-28-43(35)46/h1-33H
InChIKeyXFOQVENRHDXWRC-UHFFFAOYSA-N
MW767.90 g/mol
LogP12.42
Rot. Bonds8

About 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (PubChem CID 169296947) has the molecular formula C53H33N7 and a molecular weight of 767.90 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
PubChem CID169296947
Molecular FormulaC53H33N7
Molecular Weight767.90 g/mol
Exact Mass767.28
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C53H33N7/c54-34-47-44(39-24-12-26-41(32-39)51-56-48(36-17-4-1-5-18-36)55-49(57-51)37-19-6-2-7-20-37)29-15-30-45(47)40-25-13-27-42(33-40)52-58-50(38-21-8-3-9-22-38)59-53(60-52)46-31-14-23-35-16-10-11-28-43(35)46/h1-33H
InChIKeyXFOQVENRHDXWRC-UHFFFAOYSA-N
XLogP12.42
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.90
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile with MolForge

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Related Compounds

2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 170027450
2-naphthalen-1-yl-4-(3-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177278754
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile
CID 158089522
9,9-dimethyl-5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]fluorene-4-carbonitrile
CID 162775917
5'-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
CID 162775862
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 156561599
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (CID 169296947) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is N#Cc1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The InChIKey is XFOQVENRHDXWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N7/c54-34-47-44(39-24-12-26-41(32-39)51-56-48(36-17-4-1-5-18-36)55-49(57-51)37-19-6-2-7-20-37)29-15-30-45(47)40-25-13-27-42(33-40)52-58-50(38-21-8-3-9-22-38)59-53(60-52)46-31-14-23-35-16-10-11-28-43(35)46/h1-33H.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile has a molecular weight of 767.90 g/mol, XLogP of 12.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 169296947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).