2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine

C36H29N3 — CID 166501233

IUPAC2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccccc2-c2ccccc2)nc(-c2cc(-c3ccccc3)ccc2-c2ccccc2)n1
InChIInChI=1S/C36H29N3/c1-25(2)34-37-35(32-21-13-12-20-30(32)27-16-8-4-9-17-27)39-36(38-34)33-24-29(26-14-6-3-7-15-26)22-23-31(33)28-18-10-5-11-19-28/h3-25H,1-2H3
InChIKeyWYFXNAHRGXZMOO-UHFFFAOYSA-N
MW503.65 g/mol
LogP9.33
Rot. Bonds6

About 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine

2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine (PubChem CID 166501233) has the molecular formula C36H29N3 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
PubChem CID166501233
Molecular FormulaC36H29N3
Molecular Weight503.65 g/mol
Exact Mass503.24
IUPAC Name2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccccc2-c2ccccc2)nc(-c2cc(-c3ccccc3)ccc2-c2ccccc2)n1
InChIInChI=1S/C36H29N3/c1-25(2)34-37-35(32-21-13-12-20-30(32)27-16-8-4-9-17-27)39-36(38-34)33-24-29(26-14-6-3-7-15-26)22-23-31(33)28-18-10-5-11-19-28/h3-25H,1-2H3
InChIKeyWYFXNAHRGXZMOO-UHFFFAOYSA-N
XLogP9.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-phenyl-4-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-6-propan-2-yl-1,3,5-triazine
CID 176842988
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine
CID 171052464
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052399
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 177113414
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-(2,5-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 171052590
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052348
2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843198

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine (CID 166501233) is 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine is CC(C)c1nc(-c2ccccc2-c2ccccc2)nc(-c2cc(-c3ccccc3)ccc2-c2ccccc2)n1.
What is the InChIKey of 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine?
The InChIKey is WYFXNAHRGXZMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3/c1-25(2)34-37-35(32-21-13-12-20-30(32)27-16-8-4-9-17-27)39-36(38-34)33-24-29(26-14-6-3-7-15-26)22-23-31(33)28-18-10-5-11-19-28/h3-25H,1-2H3.
What are the key properties of 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine?
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine has a molecular weight of 503.65 g/mol, XLogP of 9.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 166501233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).