acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine

C25H25N3 — CID 145198629

IUPACacetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine
SMILESC#C.C/C=C(\C=C(/C)c1ccccc1)c1nc(CC)nc(-c2ccccc2)n1
InChIInChI=1S/C23H23N3.C2H2/c1-4-18(16-17(3)19-12-8-6-9-13-19)22-24-21(5-2)25-23(26-22)20-14-10-7-11-15-20;1-2/h4,6-16H,5H2,1-3H3;1-2H/b17-16+,18-4+;
InChIKeyTVKLFBCZXKLRAS-QMMDYMEESA-N
MW367.50 g/mol
LogP5.86
Rot. Bonds5

About acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine

acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine (PubChem CID 145198629) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Nameacetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine
PubChem CID145198629
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Nameacetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine
SMILESC#C.C/C=C(\C=C(/C)c1ccccc1)c1nc(CC)nc(-c2ccccc2)n1
InChIInChI=1S/C23H23N3.C2H2/c1-4-18(16-17(3)19-12-8-6-9-13-19)22-24-21(5-2)25-23(26-22)20-14-10-7-11-15-20;1-2/h4,6-16H,5H2,1-3H3;1-2H/b17-16+,18-4+;
InChIKeyTVKLFBCZXKLRAS-QMMDYMEESA-N
XLogP5.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144632071
2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine
CID 171108749
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
2-(4-bromophenyl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazine;ethane
CID 145257402
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
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
2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine
CID 137385119
CID 177242731
CID 177242731
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198
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

Frequently Asked Questions

What is the IUPAC name of acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine?
The IUPAC name of acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine (CID 145198629) is acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine.
What is the SMILES notation for acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine?
The canonical SMILES for acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine is C#C.C/C=C(\C=C(/C)c1ccccc1)c1nc(CC)nc(-c2ccccc2)n1.
What is the InChIKey of acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine?
The InChIKey is TVKLFBCZXKLRAS-QMMDYMEESA-N. The full InChI is InChI=1S/C23H23N3.C2H2/c1-4-18(16-17(3)19-12-8-6-9-13-19)22-24-21(5-2)25-23(26-22)20-14-10-7-11-15-20;1-2/h4,6-16H,5H2,1-3H3;1-2H/b17-16+,18-4+;.
What are the key properties of acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine?
acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine has a molecular weight of 367.50 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-ethyl-4-phenyl-6-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]-1,3,5-triazine is sourced from PubChem (CID 145198629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).