2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C34H27N3 — CID 144569103

IUPAC2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C4=CCCC=C4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C34H27N3/c1-24-12-14-29(15-13-24)32-35-33(30-20-16-27(17-21-30)25-8-4-2-5-9-25)37-34(36-32)31-22-18-28(19-23-31)26-10-6-3-7-11-26/h2,4-6,8-23H,3,7H2,1H3
InChIKeyLDAADBLOTYFCQR-UHFFFAOYSA-N
MW477.61 g/mol
LogP8.58
Rot. Bonds5

About 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 144569103) has the molecular formula C34H27N3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID144569103
Molecular FormulaC34H27N3
Molecular Weight477.61 g/mol
Exact Mass477.22
IUPAC Name2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C4=CCCC=C4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C34H27N3/c1-24-12-14-29(15-13-24)32-35-33(30-20-16-27(17-21-30)25-8-4-2-5-9-25)37-34(36-32)31-22-18-28(19-23-31)26-10-6-3-7-11-26/h2,4-6,8-23H,3,7H2,1H3
InChIKeyLDAADBLOTYFCQR-UHFFFAOYSA-N
XLogP8.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
2-(4-cyclohepta-1,4,6-trien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144705647
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 130178259
(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)boronic acid
CID 144602933
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
2-[1-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)-5-(3-phenylphenyl)phenyl]ethenyl]-4,6-diphenyl-1,3,5-triazine
CID 89110285

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 144569103) is 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C4=CCCC=C4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is LDAADBLOTYFCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3/c1-24-12-14-29(15-13-24)32-35-33(30-20-16-27(17-21-30)25-8-4-2-5-9-25)37-34(36-32)31-22-18-28(19-23-31)26-10-6-3-7-11-26/h2,4-6,8-23H,3,7H2,1H3.
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 477.61 g/mol, XLogP of 8.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 144569103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).