4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine

C23H25N — CID 71007562

IUPAC4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine
SMILESC1=CCCC(C2=CC(C3=CCC(C4=CCCC=C4)C=C3)=NCC2)=C1
InChIInChI=1S/C23H25N/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)23-17-22(15-16-24-23)19-9-5-2-6-10-19/h2-3,5,7-9,11,13-14,17,20H,1,4,6,10,12,15-16H2
InChIKeyMITNBTPQNWFGMJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.81
Rot. Bonds3

About 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine

4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine (PubChem CID 71007562) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine
PubChem CID71007562
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine
SMILESC1=CCCC(C2=CC(C3=CCC(C4=CCCC=C4)C=C3)=NCC2)=C1
InChIInChI=1S/C23H25N/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)23-17-22(15-16-24-23)19-9-5-2-6-10-19/h2-3,5,7-9,11,13-14,17,20H,1,4,6,10,12,15-16H2
InChIKeyMITNBTPQNWFGMJ-UHFFFAOYSA-N
XLogP5.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine (CID 71007562) is 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine is C1=CCCC(C2=CC(C3=CCC(C4=CCCC=C4)C=C3)=NCC2)=C1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine?
The InChIKey is MITNBTPQNWFGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)23-17-22(15-16-24-23)19-9-5-2-6-10-19/h2-3,5,7-9,11,13-14,17,20H,1,4,6,10,12,15-16H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine?
4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine has a molecular weight of 315.46 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine is sourced from PubChem (CID 71007562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).