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

C51H35N3 — CID 171052585

IUPAC2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C51H35N3/c1-5-17-36(18-6-1)40-25-13-27-42(33-40)43-28-15-30-45(35-43)50-52-49(44-29-14-26-41(34-44)37-19-7-2-8-20-37)53-51(54-50)47-32-16-31-46(38-21-9-3-10-22-38)48(47)39-23-11-4-12-24-39/h1-35H
InChIKeyXBOWNQOUBPREFD-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.21
Rot. Bonds8

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

2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 171052585) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID171052585
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C51H35N3/c1-5-17-36(18-6-1)40-25-13-27-42(33-40)43-28-15-30-45(35-43)50-52-49(44-29-14-26-41(34-44)37-19-7-2-8-20-37)53-51(54-50)47-32-16-31-46(38-21-9-3-10-22-38)48(47)39-23-11-4-12-24-39/h1-35H
InChIKeyXBOWNQOUBPREFD-UHFFFAOYSA-N
XLogP13.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052416
2-(2,3-diphenylphenyl)-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297385
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297111
2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052348
2-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 165007118
2-[3-(4-chlorophenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 154697410
2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297196
2-(3,5-diphenylphenyl)-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158602628
2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297135
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 171052585) is 2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is XBOWNQOUBPREFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-5-17-36(18-6-1)40-25-13-27-42(33-40)43-28-15-30-45(35-43)50-52-49(44-29-14-26-41(34-44)37-19-7-2-8-20-37)53-51(54-50)47-32-16-31-46(38-21-9-3-10-22-38)48(47)39-23-11-4-12-24-39/h1-35H.
What are the key properties of 2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 689.86 g/mol, XLogP of 13.21, 8 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-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171052585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).