4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine

C25H29N — CID 170194585

IUPAC4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCCC=CC(C)C1CC=CC=C1c1cc(-c2ccc(C)cc2C)ccn1
InChIInChI=1S/C25H29N/c1-5-6-9-19(3)23-10-7-8-11-24(23)25-17-21(14-15-26-25)22-13-12-18(2)16-20(22)4/h6-9,11-17,19,23H,5,10H2,1-4H3
InChIKeyORTNWIVVCSZVEE-UHFFFAOYSA-N
MW343.51 g/mol
LogP6.93
Rot. Bonds5

About 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine

4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine (PubChem CID 170194585) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine
PubChem CID170194585
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCCC=CC(C)C1CC=CC=C1c1cc(-c2ccc(C)cc2C)ccn1
InChIInChI=1S/C25H29N/c1-5-6-9-19(3)23-10-7-8-11-24(23)25-17-21(14-15-26-25)22-13-12-18(2)16-20(22)4/h6-9,11-17,19,23H,5,10H2,1-4H3
InChIKeyORTNWIVVCSZVEE-UHFFFAOYSA-N
XLogP6.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine (CID 170194585) is 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine is CCC=CC(C)C1CC=CC=C1c1cc(-c2ccc(C)cc2C)ccn1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
The InChIKey is ORTNWIVVCSZVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-5-6-9-19(3)23-10-7-8-11-24(23)25-17-21(14-15-26-25)22-13-12-18(2)16-20(22)4/h6-9,11-17,19,23H,5,10H2,1-4H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine has a molecular weight of 343.51 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine is sourced from PubChem (CID 170194585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).