2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine

C22H17Cl2N3 — CID 145237182

IUPAC2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine
SMILESCC1CC=CC=C1c1cc(-c2ccccc2)cc(-c2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C22H17Cl2N3/c1-14-7-5-6-10-19(14)17-11-16(15-8-3-2-4-9-15)12-18(13-17)20-25-21(23)27-22(24)26-20/h2-6,8-14H,7H2,1H3
InChIKeyRAIMYGCOEZAFRN-UHFFFAOYSA-N
MW394.31 g/mol
LogP6.49
Rot. Bonds3

About 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine

2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine (PubChem CID 145237182) has the molecular formula C22H17Cl2N3 and a molecular weight of 394.31 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine
PubChem CID145237182
Molecular FormulaC22H17Cl2N3
Molecular Weight394.31 g/mol
Exact Mass393.08
IUPAC Name2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine
SMILESCC1CC=CC=C1c1cc(-c2ccccc2)cc(-c2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C22H17Cl2N3/c1-14-7-5-6-10-19(14)17-11-16(15-8-3-2-4-9-15)12-18(13-17)20-25-21(23)27-22(24)26-20/h2-6,8-14H,7H2,1H3
InChIKeyRAIMYGCOEZAFRN-UHFFFAOYSA-N
XLogP6.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine
CID 156510300
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
2-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 154932801
2-[3-benzyl-4-(2-methylpyren-1-yl)phenyl]-4-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-6-phenyl-1,3,5-triazine
CID 145347673
7-methyl-2-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-7,8-dihydroindolo[2,3-b]quinoxaline
CID 163878665
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 163599254
4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine
CID 138646102
2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 170133231
2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 129171468
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine (CID 145237182) is 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine is CC1CC=CC=C1c1cc(-c2ccccc2)cc(-c2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine?
The InChIKey is RAIMYGCOEZAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3/c1-14-7-5-6-10-19(14)17-11-16(15-8-3-2-4-9-15)12-18(13-17)20-25-21(23)27-22(24)26-20/h2-6,8-14H,7H2,1H3.
What are the key properties of 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine?
2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine has a molecular weight of 394.31 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine is sourced from PubChem (CID 145237182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).