2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine

C37H31N3 — CID 177113414

IUPAC2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2-c2ccccc2)n1
InChIInChI=1S/C37H31N3/c1-37(2,3)36-39-34(31-22-14-13-21-30(31)27-17-9-5-10-18-27)38-35(40-36)32-24-23-29(26-15-7-4-8-16-26)25-33(32)28-19-11-6-12-20-28/h4-25H,1-3H3
InChIKeyGVNHKCTYJHKVSV-UHFFFAOYSA-N
MW517.68 g/mol
LogP9.50
Rot. Bonds5

About 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine

2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 177113414) has the molecular formula C37H31N3 and a molecular weight of 517.68 g/mol. Its IUPAC name is 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID177113414
Molecular FormulaC37H31N3
Molecular Weight517.68 g/mol
Exact Mass517.25
IUPAC Name2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2-c2ccccc2)n1
InChIInChI=1S/C37H31N3/c1-37(2,3)36-39-34(31-22-14-13-21-30(31)27-17-9-5-10-18-27)38-35(40-36)32-24-23-29(26-15-7-4-8-16-26)25-33(32)28-19-11-6-12-20-28/h4-25H,1-3H3
InChIKeyGVNHKCTYJHKVSV-UHFFFAOYSA-N
XLogP9.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 166501233
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052413
2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113268

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 177113414) is 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1nc(-c2ccccc2-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2-c2ccccc2)n1.
What is the InChIKey of 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is GVNHKCTYJHKVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3/c1-37(2,3)36-39-34(31-22-14-13-21-30(31)27-17-9-5-10-18-27)38-35(40-36)32-24-23-29(26-15-7-4-8-16-26)25-33(32)28-19-11-6-12-20-28/h4-25H,1-3H3.
What are the key properties of 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?
2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 517.68 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 177113414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).