2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine

C27H25N3O — CID 123847148

IUPAC2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine
SMILESCC=C(C)c1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(C)c2OC)n1
InChIInChI=1S/C27H25N3O/c1-5-18(2)21-15-9-10-16-22(21)26-28-25(20-13-7-6-8-14-20)29-27(30-26)23-17-11-12-19(3)24(23)31-4/h5-17H,1-4H3
InChIKeyGAXXKSWUNXCYQZ-UHFFFAOYSA-N
MW407.52 g/mol
LogP6.61
Rot. Bonds5

About 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine

2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 123847148) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID123847148
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine
SMILESCC=C(C)c1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(C)c2OC)n1
InChIInChI=1S/C27H25N3O/c1-5-18(2)21-15-9-10-16-22(21)26-28-25(20-13-7-6-8-14-20)29-27(30-26)23-17-11-12-19(3)24(23)31-4/h5-17H,1-4H3
InChIKeyGAXXKSWUNXCYQZ-UHFFFAOYSA-N
XLogP6.61
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 145017131
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-(2-methoxy-3-methylphenyl)cyclohepta-2,4,6-trien-1-one
CID 118331707
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-(2-methoxy-3-methylphenyl)-5-methylpyrimidine
CID 138713677
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine
CID 90142068
2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 145447899
2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 161287809
2-methoxy-1,3-diphenylbenzene
CID 23524590
CID 175079027
CID 175079027

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine (CID 123847148) is 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine is CC=C(C)c1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(C)c2OC)n1.
What is the InChIKey of 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is GAXXKSWUNXCYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-5-18(2)21-15-9-10-16-22(21)26-28-25(20-13-7-6-8-14-20)29-27(30-26)23-17-11-12-19(3)24(23)31-4/h5-17H,1-4H3.
What are the key properties of 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine?
2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 407.52 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 123847148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).