5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine

C30H31N — CID 3021410

IUPAC5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine
SMILESC#CC(CCCc1ccccc1)N1CCC(c2ccccc2)=C(C)C1c1ccccc1
InChIInChI=1S/C30H31N/c1-3-28(21-13-16-25-14-7-4-8-15-25)31-23-22-29(26-17-9-5-10-18-26)24(2)30(31)27-19-11-6-12-20-27/h1,4-12,14-15,17-20,28,30H,13,16,21-23H2,2H3
InChIKeySWYLWHLWUWCGKW-UHFFFAOYSA-N
MW405.59 g/mol
LogP6.93
Rot. Bonds7

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

5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 3021410) has the molecular formula C30H31N and a molecular weight of 405.59 g/mol. Its IUPAC name is 5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID3021410
Molecular FormulaC30H31N
Molecular Weight405.59 g/mol
Exact Mass405.25
IUPAC Name5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine
SMILESC#CC(CCCc1ccccc1)N1CCC(c2ccccc2)=C(C)C1c1ccccc1
InChIInChI=1S/C30H31N/c1-3-28(21-13-16-25-14-7-4-8-15-25)31-23-22-29(26-17-9-5-10-18-26)24(2)30(31)27-19-11-6-12-20-27/h1,4-12,14-15,17-20,28,30H,13,16,21-23H2,2H3
InChIKeySWYLWHLWUWCGKW-UHFFFAOYSA-N
XLogP6.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine (CID 3021410) is 5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine is C#CC(CCCc1ccccc1)N1CCC(c2ccccc2)=C(C)C1c1ccccc1.
What is the InChIKey of 5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is SWYLWHLWUWCGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N/c1-3-28(21-13-16-25-14-7-4-8-15-25)31-23-22-29(26-17-9-5-10-18-26)24(2)30(31)27-19-11-6-12-20-27/h1,4-12,14-15,17-20,28,30H,13,16,21-23H2,2H3.
What are the key properties of 5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine?
5-methyl-4,6-diphenyl-1-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 405.59 g/mol, XLogP of 6.93, 7 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-(6-phenylhex-1-yn-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3021410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).