2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine

C27H24N4 — CID 146428635

IUPAC2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine
SMILESNC1N=C(c2ccccc2)NC(c2cc(C3=CCCC=C3)cc(-c3ccccc3)c2)=N1
InChIInChI=1S/C27H24N4/c28-27-30-25(21-14-8-3-9-15-21)29-26(31-27)24-17-22(19-10-4-1-5-11-19)16-23(18-24)20-12-6-2-7-13-20/h1,3-6,8-18,27H,2,7,28H2,(H,29,30,31)
InChIKeyUNYARDCJIIKOCV-UHFFFAOYSA-N
MW404.52 g/mol
LogP5.13
Rot. Bonds4

About 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine

2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine (PubChem CID 146428635) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine
PubChem CID146428635
Molecular FormulaC27H24N4
Molecular Weight404.52 g/mol
Exact Mass404.20
IUPAC Name2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine
SMILESNC1N=C(c2ccccc2)NC(c2cc(C3=CCCC=C3)cc(-c3ccccc3)c2)=N1
InChIInChI=1S/C27H24N4/c28-27-30-25(21-14-8-3-9-15-21)29-26(31-27)24-17-22(19-10-4-1-5-11-19)16-23(18-24)20-12-6-2-7-13-20/h1,3-6,8-18,27H,2,7,28H2,(H,29,30,31)
InChIKeyUNYARDCJIIKOCV-UHFFFAOYSA-N
XLogP5.13
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
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2-tert-butyl-4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 130178259
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
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2-cyclohexa-1,5-dien-1-yl-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 130184267
2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 71108881
2-cyclohexa-1,5-dien-1-yl-4-[3-fluoranthen-3-yl-5-(4-pyridin-2-ylphenyl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 144775582
4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-2-pyridin-3-ylpyrimidine
CID 145280952
1-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)quinoxaline-2,3-dione
CID 122491735
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
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2-[1-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)-5-(3-phenylphenyl)phenyl]ethenyl]-4,6-diphenyl-1,3,5-triazine
CID 89110285
5-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-3,8-diphenyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine (CID 146428635) is 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine is NC1N=C(c2ccccc2)NC(c2cc(C3=CCCC=C3)cc(-c3ccccc3)c2)=N1.
What is the InChIKey of 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine?
The InChIKey is UNYARDCJIIKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4/c28-27-30-25(21-14-8-3-9-15-21)29-26(31-27)24-17-22(19-10-4-1-5-11-19)16-23(18-24)20-12-6-2-7-13-20/h1,3-6,8-18,27H,2,7,28H2,(H,29,30,31).
What are the key properties of 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine?
2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine has a molecular weight of 404.52 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 146428635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).