1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine

C24H22N4 — CID 138481842

IUPAC1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine
SMILESCc1cccc(-c2nc(C3=CC=CC(C)(N)C=C3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H22N4/c1-17-8-6-11-20(16-17)23-27-21(18-9-4-3-5-10-18)26-22(28-23)19-12-7-14-24(2,25)15-13-19/h3-16H,25H2,1-2H3
InChIKeyQZHFAUGUGPQDES-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.74
Rot. Bonds3

About 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine

1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine (PubChem CID 138481842) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine
PubChem CID138481842
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine
SMILESCc1cccc(-c2nc(C3=CC=CC(C)(N)C=C3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H22N4/c1-17-8-6-11-20(16-17)23-27-21(18-9-4-3-5-10-18)26-22(28-23)19-12-7-14-24(2,25)15-13-19/h3-16H,25H2,1-2H3
InChIKeyQZHFAUGUGPQDES-UHFFFAOYSA-N
XLogP4.74
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine
CID 146580162
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-amine
CID 63866847
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 134408534
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine
CID 59510678
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine (CID 138481842) is 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine is Cc1cccc(-c2nc(C3=CC=CC(C)(N)C=C3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine?
The InChIKey is QZHFAUGUGPQDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-17-8-6-11-20(16-17)23-27-21(18-9-4-3-5-10-18)26-22(28-23)19-12-7-14-24(2,25)15-13-19/h3-16H,25H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine?
1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine has a molecular weight of 366.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 138481842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).