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

C49H33N3 — CID 170691060

IUPAC2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-c5ccccc5-c5ccccc5)c4)ccc3c2)cc1
InChIInChI=1S/C49H33N3/c1-5-15-34(16-6-1)38-25-26-40-30-41(28-27-39(40)29-38)42-31-43(46-24-14-13-23-45(46)35-17-7-2-8-18-35)33-44(32-42)49-51-47(36-19-9-3-10-20-36)50-48(52-49)37-21-11-4-12-22-37/h1-33H
InChIKeyYVTFGUGYQYWSQJ-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.69
Rot. Bonds7

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

2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 170691060) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID170691060
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-c5ccccc5-c5ccccc5)c4)ccc3c2)cc1
InChIInChI=1S/C49H33N3/c1-5-15-34(16-6-1)38-25-26-40-30-41(28-27-39(40)29-38)42-31-43(46-24-14-13-23-45(46)35-17-7-2-8-18-35)33-44(32-42)49-51-47(36-19-9-3-10-20-36)50-48(52-49)37-21-11-4-12-22-37/h1-33H
InChIKeyYVTFGUGYQYWSQJ-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

2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 159286796
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 159629577
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162122140
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-[3-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339089
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine (CID 170691060) is 2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-c5ccccc5-c5ccccc5)c4)ccc3c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is YVTFGUGYQYWSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-5-15-34(16-6-1)38-25-26-40-30-41(28-27-39(40)29-38)42-31-43(46-24-14-13-23-45(46)35-17-7-2-8-18-35)33-44(32-42)49-51-47(36-19-9-3-10-20-36)50-48(52-49)37-21-11-4-12-22-37/h1-33H.
What are the key properties of 2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-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 2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170691060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).