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

C53H35N3 — CID 171730921

IUPAC2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6cc(-c7ccccc7)ccc6c5)n4)c3)c3ccccc3c2)cc1
InChIInChI=1S/C53H35N3/c1-5-16-36(17-6-1)40-28-29-43-32-46(35-48(50(43)33-40)38-20-9-3-10-21-38)53-55-51(39-22-11-4-12-23-39)54-52(56-53)44-26-15-25-42(30-44)49-34-45(37-18-7-2-8-19-37)31-41-24-13-14-27-47(41)49/h1-35H
InChIKeyXCXIAKSXCVCDSX-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.85
Rot. Bonds7

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

2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine (PubChem CID 171730921) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
PubChem CID171730921
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6cc(-c7ccccc7)ccc6c5)n4)c3)c3ccccc3c2)cc1
InChIInChI=1S/C53H35N3/c1-5-16-36(17-6-1)40-28-29-43-32-46(35-48(50(43)33-40)38-20-9-3-10-21-38)53-55-51(39-22-11-4-12-23-39)54-52(56-53)44-26-15-25-42(30-44)49-34-45(37-18-7-2-8-19-37)31-41-24-13-14-27-47(41)49/h1-35H
InChIKeyXCXIAKSXCVCDSX-UHFFFAOYSA-N
XLogP13.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169040010
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730881
2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278748
2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 176587633
2-(4-naphthalen-1-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730897
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2,4-dinaphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165099696
2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302466
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158640936

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine (CID 171730921) is 2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6cc(-c7ccccc7)ccc6c5)n4)c3)c3ccccc3c2)cc1.
What is the InChIKey of 2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
The InChIKey is XCXIAKSXCVCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-5-16-36(17-6-1)40-28-29-43-32-46(35-48(50(43)33-40)38-20-9-3-10-21-38)53-55-51(39-22-11-4-12-23-39)54-52(56-53)44-26-15-25-42(30-44)49-34-45(37-18-7-2-8-19-37)31-41-24-13-14-27-47(41)49/h1-35H.
What are the key properties of 2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 713.88 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171730921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).