5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine

C27H29N — CID 3021412

IUPAC5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
SMILESCC1=C(c2ccccc2)CCN(CCCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H29N/c1-22-26(24-15-7-3-8-16-24)19-21-28(27(22)25-17-9-4-10-18-25)20-11-14-23-12-5-2-6-13-23/h2-10,12-13,15-18,27H,11,14,19-21H2,1H3
InChIKeyUIXRABIRDDPMEU-UHFFFAOYSA-N
MW367.54 g/mol
LogP6.54
Rot. Bonds6

About 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine

5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine (PubChem CID 3021412) has the molecular formula C27H29N and a molecular weight of 367.54 g/mol. Its IUPAC name is 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
PubChem CID3021412
Molecular FormulaC27H29N
Molecular Weight367.54 g/mol
Exact Mass367.23
IUPAC Name5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
SMILESCC1=C(c2ccccc2)CCN(CCCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H29N/c1-22-26(24-15-7-3-8-16-24)19-21-28(27(22)25-17-9-4-10-18-25)20-11-14-23-12-5-2-6-13-23/h2-10,12-13,15-18,27H,11,14,19-21H2,1H3
InChIKeyUIXRABIRDDPMEU-UHFFFAOYSA-N
XLogP6.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine (CID 3021412) is 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine is CC1=C(c2ccccc2)CCN(CCCc2ccccc2)C1c1ccccc1.
What is the InChIKey of 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is UIXRABIRDDPMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N/c1-22-26(24-15-7-3-8-16-24)19-21-28(27(22)25-17-9-4-10-18-25)20-11-14-23-12-5-2-6-13-23/h2-10,12-13,15-18,27H,11,14,19-21H2,1H3.
What are the key properties of 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine?
5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 367.54 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-diphenyl-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3021412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).