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

C49H33N3 — CID 169297196

IUPAC2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6cccc(-c7ccccc7)c6-c6ccccc6)ccc5c4)n3)cc2)cc1
InChIInChI=1S/C49H33N3/c1-5-14-34(15-6-1)35-24-26-39(27-25-35)48-50-47(38-20-11-4-12-21-38)51-49(52-48)43-31-29-40-32-42(30-28-41(40)33-43)45-23-13-22-44(36-16-7-2-8-17-36)46(45)37-18-9-3-10-19-37/h1-33H
InChIKeyIRUBIEKZJMEYEQ-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.69
Rot. Bonds7

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

2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 169297196) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID169297196
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6cccc(-c7ccccc7)c6-c6ccccc6)ccc5c4)n3)cc2)cc1
InChIInChI=1S/C49H33N3/c1-5-14-34(15-6-1)35-24-26-39(27-25-35)48-50-47(38-20-11-4-12-21-38)51-49(52-48)43-31-29-40-32-42(30-28-41(40)33-43)45-23-13-22-44(36-16-7-2-8-17-36)46(45)37-18-9-3-10-19-37/h1-33H
InChIKeyIRUBIEKZJMEYEQ-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-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297111
2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297135
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-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
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-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
3-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 169297144
4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297341
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 169297196) is 2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6cccc(-c7ccccc7)c6-c6ccccc6)ccc5c4)n3)cc2)cc1.
What is the InChIKey of 2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is IRUBIEKZJMEYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-5-14-34(15-6-1)35-24-26-39(27-25-35)48-50-47(38-20-11-4-12-21-38)51-49(52-48)43-31-29-40-32-42(30-28-41(40)33-43)45-23-13-22-44(36-16-7-2-8-17-36)46(45)37-18-9-3-10-19-37/h1-33H.
What are the key properties of 2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-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-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169297196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).