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

C43H37N3 — CID 130178259

IUPAC2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cc(C3=CCCC=C3)cc(-c3ccccc3)c2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C43H37N3/c1-43(2,3)42-45-40(38-26-34(30-16-8-4-9-17-30)24-35(27-38)31-18-10-5-11-19-31)44-41(46-42)39-28-36(32-20-12-6-13-21-32)25-37(29-39)33-22-14-7-15-23-33/h4-6,8-14,16-29H,7,15H2,1-3H3
InChIKeyHXKDYJYXNGDUFC-UHFFFAOYSA-N
MW595.79 g/mol
LogP11.24
Rot. Bonds6

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

2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine (PubChem CID 130178259) has the molecular formula C43H37N3 and a molecular weight of 595.79 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
PubChem CID130178259
Molecular FormulaC43H37N3
Molecular Weight595.79 g/mol
Exact Mass595.30
IUPAC Name2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cc(C3=CCCC=C3)cc(-c3ccccc3)c2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C43H37N3/c1-43(2,3)42-45-40(38-26-34(30-16-8-4-9-17-30)24-35(27-38)31-18-10-5-11-19-31)44-41(46-42)39-28-36(32-20-12-6-13-21-32)25-37(29-39)33-22-14-7-15-23-33/h4-6,8-14,16-29H,7,15H2,1-3H3
InChIKeyHXKDYJYXNGDUFC-UHFFFAOYSA-N
XLogP11.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.79
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 71108881
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-2-pyridin-3-ylpyrimidine
CID 145280952
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-[1-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)-5-(3-phenylphenyl)phenyl]ethenyl]-4,6-diphenyl-1,3,5-triazine
CID 89110285
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993
2,4-ditert-butyl-6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843132
4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 164945015

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine (CID 130178259) is 2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine is CC(C)(C)c1nc(-c2cc(C3=CCCC=C3)cc(-c3ccccc3)c2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine?
The InChIKey is HXKDYJYXNGDUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N3/c1-43(2,3)42-45-40(38-26-34(30-16-8-4-9-17-30)24-35(27-38)31-18-10-5-11-19-31)44-41(46-42)39-28-36(32-20-12-6-13-21-32)25-37(29-39)33-22-14-7-15-23-33/h4-6,8-14,16-29H,7,15H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine?
2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine has a molecular weight of 595.79 g/mol, XLogP of 11.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130178259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).