2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C38H32N4 — CID 144734388

IUPAC2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC/C=C\c1cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccnc3C)c2)ccc1C
InChIInChI=1S/C38H32N4/c1-4-5-13-30-22-31(20-19-26(30)2)32-23-33(35-18-12-21-39-27(35)3)25-34(24-32)38-41-36(28-14-8-6-9-15-28)40-37(42-38)29-16-10-7-11-17-29/h5-25H,4H2,1-3H3/b13-5-
InChIKeyOVYBBGFIVVPMOB-ACAGNQJTSA-N
MW544.70 g/mol
LogP9.64
Rot. Bonds7

About 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 144734388) has the molecular formula C38H32N4 and a molecular weight of 544.70 g/mol. Its IUPAC name is 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID144734388
Molecular FormulaC38H32N4
Molecular Weight544.70 g/mol
Exact Mass544.26
IUPAC Name2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC/C=C\c1cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccnc3C)c2)ccc1C
InChIInChI=1S/C38H32N4/c1-4-5-13-30-22-31(20-19-26(30)2)32-23-33(35-18-12-21-39-27(35)3)25-34(24-32)38-41-36(28-14-8-6-9-15-28)40-37(42-38)29-16-10-7-11-17-29/h5-25H,4H2,1-3H3/b13-5-
InChIKeyOVYBBGFIVVPMOB-ACAGNQJTSA-N
XLogP9.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[3,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]phenyl]-5-[4-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734460
methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 158307635
2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734293
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163651654
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 170691060
2-[3-(2,4-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 155658951
8-[4-[4-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130358719

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 144734388) is 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC/C=C\c1cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccnc3C)c2)ccc1C.
What is the InChIKey of 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OVYBBGFIVVPMOB-ACAGNQJTSA-N. The full InChI is InChI=1S/C38H32N4/c1-4-5-13-30-22-31(20-19-26(30)2)32-23-33(35-18-12-21-39-27(35)3)25-34(24-32)38-41-36(28-14-8-6-9-15-28)40-37(42-38)29-16-10-7-11-17-29/h5-25H,4H2,1-3H3/b13-5-.
What are the key properties of 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 544.70 g/mol, XLogP of 9.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 144734388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).