2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine

C20H21N3 — CID 144691952

IUPAC2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine
SMILESC/C=C\Cc1nc(C2=CCCC=C2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H21N3/c1-3-4-10-18-21-19(16-8-6-5-7-9-16)23-20(22-18)17-13-11-15(2)12-14-17/h3-4,6,8-9,11-14H,5,7,10H2,1-2H3/b4-3-
InChIKeyRXJDHKKJZPJPNV-ARJAWSKDSA-N
MW303.41 g/mol
LogP4.70
Rot. Bonds4

About 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine

2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine (PubChem CID 144691952) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine
PubChem CID144691952
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine
SMILESC/C=C\Cc1nc(C2=CCCC=C2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H21N3/c1-3-4-10-18-21-19(16-8-6-5-7-9-16)23-20(22-18)17-13-11-15(2)12-14-17/h3-4,6,8-9,11-14H,5,7,10H2,1-2H3/b4-3-
InChIKeyRXJDHKKJZPJPNV-ARJAWSKDSA-N
XLogP4.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane
CID 168915570
3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-[(2Z,4E)-hepta-2,4-dien-4-yl]aniline
CID 144906503
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)boronic acid
CID 144602933
2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-6-[4-[4-[4-(3-phenylphenyl)phenyl]heptan-4-yl]phenyl]-1,3,5-triazine
CID 146384916
2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-6-[4-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]pentan-3-yl]phenyl]pyrimidine
CID 146384972
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
2-[(3Z)-5-bromohexa-1,3,5-trien-2-yl]-4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazine
CID 163977720
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384831
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 154618868

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine (CID 144691952) is 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine is C/C=C\Cc1nc(C2=CCCC=C2)nc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine?
The InChIKey is RXJDHKKJZPJPNV-ARJAWSKDSA-N. The full InChI is InChI=1S/C20H21N3/c1-3-4-10-18-21-19(16-8-6-5-7-9-16)23-20(22-18)17-13-11-15(2)12-14-17/h3-4,6,8-9,11-14H,5,7,10H2,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine?
2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine has a molecular weight of 303.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 144691952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).