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

C28H27N3 — CID 134575151

IUPAC2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane
SMILESCC1NC(c2cccc(-c3ccccc3)c2)NC(c2ccccc2-c2ccccc2)N1
InChIInChI=1S/C28H27N3/c1-20-29-27(24-16-10-15-23(19-24)21-11-4-2-5-12-21)31-28(30-20)26-18-9-8-17-25(26)22-13-6-3-7-14-22/h2-20,27-31H,1H3
InChIKeyJWTGRLVZLGROQI-UHFFFAOYSA-N
MW405.55 g/mol
LogP5.85
Rot. Bonds4

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

2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane (PubChem CID 134575151) has the molecular formula C28H27N3 and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane.

Molecular Properties

Compound Name2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane
PubChem CID134575151
Molecular FormulaC28H27N3
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane
SMILESCC1NC(c2cccc(-c3ccccc3)c2)NC(c2ccccc2-c2ccccc2)N1
InChIInChI=1S/C28H27N3/c1-20-29-27(24-16-10-15-23(19-24)21-11-4-2-5-12-21)31-28(30-20)26-18-9-8-17-25(26)22-13-6-3-7-14-22/h2-20,27-31H,1H3
InChIKeyJWTGRLVZLGROQI-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-(4-phenylphenyl)-1,3,5-triazinane
CID 134575158
3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole
CID 170061394
2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263734
methanol;9-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 175245609
3-methyl-5-phenyl-2,3-dihydroinden-1-one
CID 11637152
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile
CID 129099191
3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene
CID 126561097
2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole
CID 126614553
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775049
bis(1,3-diphenylbenzene);ethane
CID 144938975
3-dibenzothiophen-4-yl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-4a,9a-dihydrocarbazole
CID 145085132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane?
The IUPAC name of 2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane (CID 134575151) is 2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane.
What is the SMILES notation for 2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane?
The canonical SMILES for 2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane is CC1NC(c2cccc(-c3ccccc3)c2)NC(c2ccccc2-c2ccccc2)N1.
What is the InChIKey of 2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane?
The InChIKey is JWTGRLVZLGROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3/c1-20-29-27(24-16-10-15-23(19-24)21-11-4-2-5-12-21)31-28(30-20)26-18-9-8-17-25(26)22-13-6-3-7-14-22/h2-20,27-31H,1H3.
What are the key properties of 2-methyl-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazinane?
2-methyl-4-(2-phenylphenyl)-6-(3-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-(3-phenylphenyl)-1,3,5-triazinane is sourced from PubChem (CID 134575151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).