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

C25H27N3 — CID 135197445

IUPAC2-[(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
SMILESC/C=C\C=C/C(=C\C)c1nc(C(/C=C\C)=C/C=C\C)nc(-c2ccccc2)n1
InChIInChI=1S/C25H27N3/c1-5-9-12-17-20(8-4)23-26-24(21(15-7-3)16-10-6-2)28-25(27-23)22-18-13-11-14-19-22/h5-19H,1-4H3/b9-5-,10-6-,15-7-,17-12-,20-8+,21-16+
InChIKeyKDOOVUNYINPPQS-REUQIQQWSA-N
MW369.51 g/mol
LogP6.61
Rot. Bonds7

About 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

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 (PubChem CID 135197445) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID135197445
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name2-[(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
SMILESC/C=C\C=C/C(=C\C)c1nc(C(/C=C\C)=C/C=C\C)nc(-c2ccccc2)n1
InChIInChI=1S/C25H27N3/c1-5-9-12-17-20(8-4)23-26-24(21(15-7-3)16-10-6-2)28-25(27-23)22-18-13-11-14-19-22/h5-19H,1-4H3/b9-5-,10-6-,15-7-,17-12-,20-8+,21-16+
InChIKeyKDOOVUNYINPPQS-REUQIQQWSA-N
XLogP6.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(4-bromophenyl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazine;ethane
CID 145257402
2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
CID 145217979
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
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 143444775
2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-6-phenyl-1,3,5-triazine
CID 134185256
CID 177242731
CID 177242731
2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144632071
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
4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine
CID 123718763
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-[4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121257999
ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine
CID 144615931
4-bromo-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenylpyrimidine
CID 144990040

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\C=C/C(=C\C)c1nc(C(/C=C\C)=C/C=C\C)nc(-c2ccccc2)n1.
What is the InChIKey of 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?
The InChIKey is KDOOVUNYINPPQS-REUQIQQWSA-N. The full InChI is InChI=1S/C25H27N3/c1-5-9-12-17-20(8-4)23-26-24(21(15-7-3)16-10-6-2)28-25(27-23)22-18-13-11-14-19-22/h5-19H,1-4H3/b9-5-,10-6-,15-7-,17-12-,20-8+,21-16+.
What are the key properties of 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?
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 has a molecular weight of 369.51 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135197445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).