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

C51H35N3 — CID 171052536

IUPAC2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H35N3/c1-5-15-36(16-6-1)39-25-29-42(30-26-39)45-23-13-14-24-46(45)50-52-49(43-31-27-40(28-32-43)37-17-7-2-8-18-37)53-51(54-50)47-34-33-44(38-19-9-3-10-20-38)35-48(47)41-21-11-4-12-22-41/h1-35H
InChIKeyAZXRJNYIRIVSFD-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.21
Rot. Bonds8

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

2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 171052536) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID171052536
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H35N3/c1-5-15-36(16-6-1)39-25-29-42(30-26-39)45-23-13-14-24-46(45)50-52-49(43-31-27-40(28-32-43)37-17-7-2-8-18-37)53-51(54-50)47-34-33-44(38-19-9-3-10-20-38)35-48(47)41-21-11-4-12-22-41/h1-35H
InChIKeyAZXRJNYIRIVSFD-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-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine
CID 171052464
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052399
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052413
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052388
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052601
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 171052536) is 2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is AZXRJNYIRIVSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-5-15-36(16-6-1)39-25-29-42(30-26-39)45-23-13-14-24-46(45)50-52-49(43-31-27-40(28-32-43)37-17-7-2-8-18-37)53-51(54-50)47-34-33-44(38-19-9-3-10-20-38)35-48(47)41-21-11-4-12-22-41/h1-35H.
What are the key properties of 2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-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-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171052536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).