2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C49H33N3 — CID 169297111

IUPAC2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccc5)c4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C49H33N3/c1-4-13-34(14-5-1)36-23-28-40(29-24-36)47-50-48(41-30-25-37(26-31-41)43-32-27-35-15-10-11-20-42(35)33-43)52-49(51-47)45-22-12-21-44(38-16-6-2-7-17-38)46(45)39-18-8-3-9-19-39/h1-33H
InChIKeyXZYFZFUXDCDBED-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.69
Rot. Bonds7

About 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 169297111) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID169297111
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccc5)c4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C49H33N3/c1-4-13-34(14-5-1)36-23-28-40(29-24-36)47-50-48(41-30-25-37(26-31-41)43-32-27-35-15-10-11-20-42(35)33-43)52-49(51-47)45-22-12-21-44(38-16-6-2-7-17-38)46(45)39-18-8-3-9-19-39/h1-33H
InChIKeyXZYFZFUXDCDBED-UHFFFAOYSA-N
XLogP12.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-diphenylphenyl)-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297385
2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297135
2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297196
2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052416
2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052585
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131
4-[3-[4-(2,3-dinaphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297263
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 169297111) is 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccc5)c4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is XZYFZFUXDCDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-4-13-34(14-5-1)36-23-28-40(29-24-36)47-50-48(41-30-25-37(26-31-41)43-32-27-35-15-10-11-20-42(35)33-43)52-49(51-47)45-22-12-21-44(38-16-6-2-7-17-38)46(45)39-18-8-3-9-19-39/h1-33H.
What are the key properties of 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 663.82 g/mol, XLogP of 12.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169297111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).