5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine

C27H27N — CID 6366149

IUPAC5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine
SMILESCC1=C(c2ccccc2)CCN(C/C=C/c2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H27N/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/h2-18,27H,19-21H2,1H3/b14-11+
InChIKeyCCDVZOIKXIOKFM-SDNWHVSQSA-N
MW365.52 g/mol
LogP6.62
Rot. Bonds5

About 5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine

5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine (PubChem CID 6366149) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine
PubChem CID6366149
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine
SMILESCC1=C(c2ccccc2)CCN(C/C=C/c2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H27N/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/h2-18,27H,19-21H2,1H3/b14-11+
InChIKeyCCDVZOIKXIOKFM-SDNWHVSQSA-N
XLogP6.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.62
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-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine (CID 6366149) is 5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine is CC1=C(c2ccccc2)CCN(C/C=C/c2ccccc2)C1c1ccccc1.
What is the InChIKey of 5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine?
The InChIKey is CCDVZOIKXIOKFM-SDNWHVSQSA-N. The full InChI is InChI=1S/C27H27N/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/h2-18,27H,19-21H2,1H3/b14-11+.
What are the key properties of 5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine?
5-methyl-4,6-diphenyl-1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine has a molecular weight of 365.52 g/mol, XLogP of 6.62, 5 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-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 6366149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).