4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine

C29H23N — CID 138636514

IUPAC4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
SMILESC1=CC(c2ccc(-c3ccnc(-c4ccc(-c5ccccc5)cc4)c3)cc2)=CCC1
InChIInChI=1S/C29H23N/c1-3-7-22(8-4-1)24-11-13-26(14-12-24)28-19-20-30-29(21-28)27-17-15-25(16-18-27)23-9-5-2-6-10-23/h2-3,5-21H,1,4H2
InChIKeyGXMNCTWQDMNIJC-UHFFFAOYSA-N
MW385.51 g/mol
LogP7.82
Rot. Bonds4

About 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine

4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine (PubChem CID 138636514) has the molecular formula C29H23N and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
PubChem CID138636514
Molecular FormulaC29H23N
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Name4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
SMILESC1=CC(c2ccc(-c3ccnc(-c4ccc(-c5ccccc5)cc4)c3)cc2)=CCC1
InChIInChI=1S/C29H23N/c1-3-7-22(8-4-1)24-11-13-26(14-12-24)28-19-20-30-29(21-28)27-17-15-25(16-18-27)23-9-5-2-6-10-23/h2-3,5-21H,1,4H2
InChIKeyGXMNCTWQDMNIJC-UHFFFAOYSA-N
XLogP7.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-Ethyl-2-methylpyridine
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Anabaseine
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4-Phenylpyridine
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4-Methylquinoline
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2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine?
The IUPAC name of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine (CID 138636514) is 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine.
What is the SMILES notation for 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine?
The canonical SMILES for 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine is C1=CC(c2ccc(-c3ccnc(-c4ccc(-c5ccccc5)cc4)c3)cc2)=CCC1.
What is the InChIKey of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine?
The InChIKey is GXMNCTWQDMNIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N/c1-3-7-22(8-4-1)24-11-13-26(14-12-24)28-19-20-30-29(21-28)27-17-15-25(16-18-27)23-9-5-2-6-10-23/h2-3,5-21H,1,4H2.
What are the key properties of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine?
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine has a molecular weight of 385.51 g/mol, XLogP of 7.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine is sourced from PubChem (CID 138636514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).