ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine

C38H47N — CID 144579286

IUPACethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine
SMILESC=C(/C(C)=C\Cc1ccccc1C(C)(CC)C(C)N1CC=CC=C1c1ccccc1C)c1ccccc1.CC
InChIInChI=1S/C36H41N.C2H6/c1-7-36(6,30(5)37-26-16-15-23-35(37)33-21-13-11-17-28(33)3)34-22-14-12-20-32(34)25-24-27(2)29(4)31-18-9-8-10-19-31;1-2/h8-24,30H,4,7,25-26H2,1-3,5-6H3;1-2H3/b27-24-;
InChIKeyDYXXPDBFYLWDKM-XLKZBTFOSA-N
MW517.80 g/mol
LogP10.19
Rot. Bonds9

About ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine

ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine (PubChem CID 144579286) has the molecular formula C38H47N and a molecular weight of 517.80 g/mol. Its IUPAC name is ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine.

Molecular Properties

Compound Nameethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine
PubChem CID144579286
Molecular FormulaC38H47N
Molecular Weight517.80 g/mol
Exact Mass517.37
IUPAC Nameethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine
SMILESC=C(/C(C)=C\Cc1ccccc1C(C)(CC)C(C)N1CC=CC=C1c1ccccc1C)c1ccccc1.CC
InChIInChI=1S/C36H41N.C2H6/c1-7-36(6,30(5)37-26-16-15-23-35(37)33-21-13-11-17-28(33)3)34-22-14-12-20-32(34)25-24-27(2)29(4)31-18-9-8-10-19-31;1-2/h8-24,30H,4,7,25-26H2,1-3,5-6H3;1-2H3/b27-24-;
InChIKeyDYXXPDBFYLWDKM-XLKZBTFOSA-N
XLogP10.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.80
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 129456727
sodium;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid;hydroxide
CID 67535329
1-[(3Z)-4-[3-[(2E,4E)-6-cyclohexa-1,3-dien-1-yl-2-phenylhepta-2,4-dien-4-yl]phenyl]-4-(2-methyl-5-naphthalen-1-ylphenyl)buta-1,3-dien-2-yl]naphthalene
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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine?
The IUPAC name of ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine (CID 144579286) is ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine.
What is the SMILES notation for ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine?
The canonical SMILES for ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine is C=C(/C(C)=C\Cc1ccccc1C(C)(CC)C(C)N1CC=CC=C1c1ccccc1C)c1ccccc1.CC.
What is the InChIKey of ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine?
The InChIKey is DYXXPDBFYLWDKM-XLKZBTFOSA-N. The full InChI is InChI=1S/C36H41N.C2H6/c1-7-36(6,30(5)37-26-16-15-23-35(37)33-21-13-11-17-28(33)3)34-22-14-12-20-32(34)25-24-27(2)29(4)31-18-9-8-10-19-31;1-2/h8-24,30H,4,7,25-26H2,1-3,5-6H3;1-2H3/b27-24-;.
What are the key properties of ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine?
ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine has a molecular weight of 517.80 g/mol, XLogP of 10.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-methyl-3-[2-[(2Z)-3-methyl-4-phenylpenta-2,4-dienyl]phenyl]pentan-2-yl]-6-(2-methylphenyl)-2H-pyridine is sourced from PubChem (CID 144579286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).