4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine

C24H22ClN — CID 144989357

IUPAC4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine
SMILESC/C=C(\C=C(C)C)c1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H22ClN/c1-4-18(14-17(2)3)23-15-21(19-10-12-22(25)13-11-19)16-24(26-23)20-8-6-5-7-9-20/h4-16H,1-3H3/b18-4+
InChIKeyURQDSBPLJZCKHK-JJPRUIFNSA-N
MW359.90 g/mol
LogP7.44
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine

4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine (PubChem CID 144989357) has the molecular formula C24H22ClN and a molecular weight of 359.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine
PubChem CID144989357
Molecular FormulaC24H22ClN
Molecular Weight359.90 g/mol
Exact Mass359.14
IUPAC Name4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine
SMILESC/C=C(\C=C(C)C)c1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H22ClN/c1-4-18(14-17(2)3)23-15-21(19-10-12-22(25)13-11-19)16-24(26-23)20-8-6-5-7-9-20/h4-16H,1-3H3/b18-4+
InChIKeyURQDSBPLJZCKHK-JJPRUIFNSA-N
XLogP7.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine?
The IUPAC name of 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine (CID 144989357) is 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine is C/C=C(\C=C(C)C)c1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine?
The InChIKey is URQDSBPLJZCKHK-JJPRUIFNSA-N. The full InChI is InChI=1S/C24H22ClN/c1-4-18(14-17(2)3)23-15-21(19-10-12-22(25)13-11-19)16-24(26-23)20-8-6-5-7-9-20/h4-16H,1-3H3/b18-4+.
What are the key properties of 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine?
4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine has a molecular weight of 359.90 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]-6-phenylpyridine is sourced from PubChem (CID 144989357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).