2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine

C23H23N3 — CID 144632071

IUPAC2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
SMILESC/C=C(\C=C/CC)c1nc(-c2ccccc2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C23H23N3/c1-4-6-10-18(5-2)21-24-22(19-11-8-7-9-12-19)26-23(25-21)20-15-13-17(3)14-16-20/h5-16H,4H2,1-3H3/b10-6-,18-5+
InChIKeyLSNIBEUPOPBBOO-VEXZSJAPSA-N
MW341.46 g/mol
LogP5.88
Rot. Bonds5

About 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine

2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 144632071) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID144632071
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
SMILESC/C=C(\C=C/CC)c1nc(-c2ccccc2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C23H23N3/c1-4-6-10-18(5-2)21-24-22(19-11-8-7-9-12-19)26-23(25-21)20-15-13-17(3)14-16-20/h5-16H,4H2,1-3H3/b10-6-,18-5+
InChIKeyLSNIBEUPOPBBOO-VEXZSJAPSA-N
XLogP5.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenyl-6-[3-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 145174411
2-[3-[9,9-dimethyl-5-[3-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]xanthen-4-yl]phenyl]-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-6-phenyl-1,3,5-triazine
CID 130440018
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 143444775
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;propane;prop-1-ene
CID 145452849
4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine
CID 123718763
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
2-(4-bromophenyl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazine;ethane
CID 145257402
CID 177242731
CID 177242731
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine
CID 144875855
ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine
CID 144615931
2-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-6-phenyl-1,3,5-triazine
CID 135197445

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine (CID 144632071) is 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine is C/C=C(\C=C/CC)c1nc(-c2ccccc2)nc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is LSNIBEUPOPBBOO-VEXZSJAPSA-N. The full InChI is InChI=1S/C23H23N3/c1-4-6-10-18(5-2)21-24-22(19-11-8-7-9-12-19)26-23(25-21)20-15-13-17(3)14-16-20/h5-16H,4H2,1-3H3/b10-6-,18-5+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine?
2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 341.46 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 144632071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).