4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine

C26H27NO2 — CID 102519654

IUPAC4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(CN2CCC(c3ccc(OC)cc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C26H27NO2/c1-28-23-12-8-20(9-13-23)18-27-17-16-25(22-10-14-24(29-2)15-11-22)26(19-27)21-6-4-3-5-7-21/h3-15H,16-19H2,1-2H3
InChIKeyLQTSKEFLSSQNAO-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.52
Rot. Bonds6

About 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine

4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 102519654) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
PubChem CID102519654
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(CN2CCC(c3ccc(OC)cc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C26H27NO2/c1-28-23-12-8-20(9-13-23)18-27-17-16-25(22-10-14-24(29-2)15-11-22)26(19-27)21-6-4-3-5-7-21/h3-15H,16-19H2,1-2H3
InChIKeyLQTSKEFLSSQNAO-UHFFFAOYSA-N
XLogP5.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409
2-benzyl-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53357548
6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 15690617
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 142698472
1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
CID 21472218
6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 156806650
ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691472
3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 71575027
4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 2845212

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine (CID 102519654) is 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine is COc1ccc(CN2CCC(c3ccc(OC)cc3)=C(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is LQTSKEFLSSQNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-28-23-12-8-20(9-13-23)18-27-17-16-25(22-10-14-24(29-2)15-11-22)26(19-27)21-6-4-3-5-7-21/h3-15H,16-19H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine?
4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 385.51 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102519654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).