2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine

C23H21N — CID 123280438

IUPAC2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine
SMILESC=CC=C(C=CC)c1ccc(-c2cccc3c(C)cccc23)cn1
InChIInChI=1S/C23H21N/c1-4-8-18(9-5-2)23-15-14-19(16-24-23)21-12-7-11-20-17(3)10-6-13-22(20)21/h4-16H,1H2,2-3H3
InChIKeyCRXMPAPFCCCPEO-UHFFFAOYSA-N
MW311.43 g/mol
LogP6.36
Rot. Bonds4

About 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine

2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine (PubChem CID 123280438) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine
PubChem CID123280438
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine
SMILESC=CC=C(C=CC)c1ccc(-c2cccc3c(C)cccc23)cn1
InChIInChI=1S/C23H21N/c1-4-8-18(9-5-2)23-15-14-19(16-24-23)21-12-7-11-20-17(3)10-6-13-22(20)21/h4-16H,1H2,2-3H3
InChIKeyCRXMPAPFCCCPEO-UHFFFAOYSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 143178055
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384885
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine
CID 142353727
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-pyren-1-ylpyridine
CID 89197826
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 138665431
4-[3-(4-bromophenyl)phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylbenzene
CID 144640238
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 170635404
7-(3,5-diphenylphenyl)-15-[15-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenylphenyl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 139483319
5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene
CID 143060546
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 144979795

Frequently Asked Questions

What is the IUPAC name of 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine?
The IUPAC name of 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine (CID 123280438) is 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine.
What is the SMILES notation for 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine?
The canonical SMILES for 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine is C=CC=C(C=CC)c1ccc(-c2cccc3c(C)cccc23)cn1.
What is the InChIKey of 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine?
The InChIKey is CRXMPAPFCCCPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-4-8-18(9-5-2)23-15-14-19(16-24-23)21-12-7-11-20-17(3)10-6-13-22(20)21/h4-16H,1H2,2-3H3.
What are the key properties of 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine?
2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine has a molecular weight of 311.43 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine is sourced from PubChem (CID 123280438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).