2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane

C28H27N3 — CID 134575158

IUPAC2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane
SMILESCC1NC(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2-c2ccccc2)N1
InChIInChI=1S/C28H27N3/c1-20-29-27(24-18-16-22(17-19-24)21-10-4-2-5-11-21)31-28(30-20)26-15-9-8-14-25(26)23-12-6-3-7-13-23/h2-20,27-31H,1H3
InChIKeyPUKAWWVGDDYTFM-UHFFFAOYSA-N
MW405.55 g/mol
LogP5.85
Rot. Bonds4

About 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane

2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane (PubChem CID 134575158) has the molecular formula C28H27N3 and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane.

Molecular Properties

Compound Name2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane
PubChem CID134575158
Molecular FormulaC28H27N3
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane
SMILESCC1NC(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2-c2ccccc2)N1
InChIInChI=1S/C28H27N3/c1-20-29-27(24-18-16-22(17-19-24)21-10-4-2-5-11-21)31-28(30-20)26-15-9-8-14-25(26)23-12-6-3-7-13-23/h2-20,27-31H,1H3
InChIKeyPUKAWWVGDDYTFM-UHFFFAOYSA-N
XLogP5.85
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane
CID 134575151
methanol;9-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 175245609
2-methyl-4-(4-phenylphenyl)azetidine
CID 116821976
9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene
CID 58556038
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
CID 162408890
2-[2-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099445
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane?
The IUPAC name of 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane (CID 134575158) is 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane.
What is the SMILES notation for 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane?
The canonical SMILES for 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane is CC1NC(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2-c2ccccc2)N1.
What is the InChIKey of 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane?
The InChIKey is PUKAWWVGDDYTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3/c1-20-29-27(24-18-16-22(17-19-24)21-10-4-2-5-11-21)31-28(30-20)26-15-9-8-14-25(26)23-12-6-3-7-13-23/h2-20,27-31H,1H3.
What are the key properties of 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane?
2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane has a molecular weight of 405.55 g/mol, XLogP of 5.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane is sourced from PubChem (CID 134575158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).