2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C49H33N3 — CID 169297409

IUPAC2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6ccccc56)c4-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C49H33N3/c1-4-14-34(15-5-1)36-26-30-39(31-27-36)46-44(43-23-12-21-38-18-10-11-22-42(38)43)24-13-25-45(46)49-51-47(40-19-8-3-9-20-40)50-48(52-49)41-32-28-37(29-33-41)35-16-6-2-7-17-35/h1-33H
InChIKeyRMOXLPDVLXZPOF-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.69
Rot. Bonds7

About 2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 169297409) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID169297409
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6ccccc56)c4-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C49H33N3/c1-4-14-34(15-5-1)36-26-30-39(31-27-36)46-44(43-23-12-21-38-18-10-11-22-42(38)43)24-13-25-45(46)49-51-47(40-19-8-3-9-20-40)50-48(52-49)41-32-28-37(29-33-41)35-16-6-2-7-17-35/h1-33H
InChIKeyRMOXLPDVLXZPOF-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-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
2-[3-naphthalen-1-yl-4-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146187509
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297111

Frequently Asked Questions

What is the IUPAC name of 2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 169297409) is 2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6ccccc56)c4-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is RMOXLPDVLXZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-4-14-34(15-5-1)36-26-30-39(31-27-36)46-44(43-23-12-21-38-18-10-11-22-42(38)43)24-13-25-45(46)49-51-47(40-19-8-3-9-20-40)50-48(52-49)41-32-28-37(29-33-41)35-16-6-2-7-17-35/h1-33H.
What are the key properties of 2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-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-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169297409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).