cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one

C96H117N5O6 — CID 157420424

IUPACcyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one
SMILESCCCCC(CC)C(=O)N1C=CC(c2ccccc2)C=C1.CCCCCCCCC(=O)N1C=CC(c2ccccc2)C=C1.CCCCCCCCCC(=O)N1C=CC(c2ccccc2)C=C1.O=C(C1CCCCC1)N1C=CC(c2ccccc2)C=C1.O=C(Oc1ccccc1)N1C=CC(c2ccccc2)C=C1
InChIInChI=1S/C21H29NO.C20H27NO.C19H25NO.C18H15NO2.C18H21NO/c1-2-3-4-5-6-7-11-14-21(23)22-17-15-20(16-18-22)19-12-9-8-10-13-19;1-2-3-4-5-6-10-13-20(22)21-16-14-19(15-17-21)18-11-8-7-9-12-18;1-3-5-9-16(4-2)19(21)20-14-12-18(13-15-20)17-10-7-6-8-11-17;20-18(21-17-9-5-2-6-10-17)19-13-11-16(12-14-19)15-7-3-1-4-8-15;20-18(17-9-5-2-6-10-17)19-13-11-16(12-14-19)15-7-3-1-4-8-15/h8-10,12-13,15-18,20H,2-7,11,14H2,1H3;7-9,11-12,14-17,19H,2-6,10,13H2,1H3;6-8,10-16,18H,3-5,9H2,1-2H3;1-14,16H;1,3-4,7-8,11-14,16-17H,2,5-6,9-10H2
InChIKeyBPIKTJZMSXGYCS-UHFFFAOYSA-N
MW1437.02 g/mol
LogP24.56
Rot. Bonds27

About cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one

cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one (PubChem CID 157420424) has the molecular formula C96H117N5O6 and a molecular weight of 1437.02 g/mol. Its IUPAC name is cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one.

Molecular Properties

Compound Namecyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one
PubChem CID157420424
Molecular FormulaC96H117N5O6
Molecular Weight1437.02 g/mol
Exact Mass1435.90
IUPAC Namecyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one
SMILESCCCCC(CC)C(=O)N1C=CC(c2ccccc2)C=C1.CCCCCCCCC(=O)N1C=CC(c2ccccc2)C=C1.CCCCCCCCCC(=O)N1C=CC(c2ccccc2)C=C1.O=C(C1CCCCC1)N1C=CC(c2ccccc2)C=C1.O=C(Oc1ccccc1)N1C=CC(c2ccccc2)C=C1
InChIInChI=1S/C21H29NO.C20H27NO.C19H25NO.C18H15NO2.C18H21NO/c1-2-3-4-5-6-7-11-14-21(23)22-17-15-20(16-18-22)19-12-9-8-10-13-19;1-2-3-4-5-6-10-13-20(22)21-16-14-19(15-17-21)18-11-8-7-9-12-18;1-3-5-9-16(4-2)19(21)20-14-12-18(13-15-20)17-10-7-6-8-11-17;20-18(21-17-9-5-2-6-10-17)19-13-11-16(12-14-19)15-7-3-1-4-8-15;20-18(17-9-5-2-6-10-17)19-13-11-16(12-14-19)15-7-3-1-4-8-15/h8-10,12-13,15-18,20H,2-7,11,14H2,1H3;7-9,11-12,14-17,19H,2-6,10,13H2,1H3;6-8,10-16,18H,3-5,9H2,1-2H3;1-14,16H;1,3-4,7-8,11-14,16-17H,2,5-6,9-10H2
InChIKeyBPIKTJZMSXGYCS-UHFFFAOYSA-N
XLogP24.56
TPSA110.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001437.02
LogP ≤ 524.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one with MolForge

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Launch Full Analysis

Related Compounds

phenyl 4-phenyl-4H-pyridine-1-carboxylate
CID 10540490
phenyl 2-ethyloctanoate
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phenyl 2-ethylhexanoate
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phenyl 4-butan-2-yl-4H-pyridine-1-carboxylate
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phenyl dopentacontanoate
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phenyl hexapentacontanoate
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phenyl hexacosanoate
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phenyl tridecanoate
CID 54389784
phenyl triacontanoate
CID 54018873
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CID 173442753
mercury;phenyl octadecanoate
CID 158061503
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one?
The IUPAC name of cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one (CID 157420424) is cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one.
What is the SMILES notation for cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one?
The canonical SMILES for cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one is CCCCC(CC)C(=O)N1C=CC(c2ccccc2)C=C1.CCCCCCCCC(=O)N1C=CC(c2ccccc2)C=C1.CCCCCCCCCC(=O)N1C=CC(c2ccccc2)C=C1.O=C(C1CCCCC1)N1C=CC(c2ccccc2)C=C1.O=C(Oc1ccccc1)N1C=CC(c2ccccc2)C=C1.
What is the InChIKey of cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one?
The InChIKey is BPIKTJZMSXGYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO.C20H27NO.C19H25NO.C18H15NO2.C18H21NO/c1-2-3-4-5-6-7-11-14-21(23)22-17-15-20(16-18-22)19-12-9-8-10-13-19;1-2-3-4-5-6-10-13-20(22)21-16-14-19(15-17-21)18-11-8-7-9-12-18;1-3-5-9-16(4-2)19(21)20-14-12-18(13-15-20)17-10-7-6-8-11-17;20-18(21-17-9-5-2-6-10-17)19-13-11-16(12-14-19)15-7-3-1-4-8-15;20-18(17-9-5-2-6-10-17)19-13-11-16(12-14-19)15-7-3-1-4-8-15/h8-10,12-13,15-18,20H,2-7,11,14H2,1H3;7-9,11-12,14-17,19H,2-6,10,13H2,1H3;6-8,10-16,18H,3-5,9H2,1-2H3;1-14,16H;1,3-4,7-8,11-14,16-17H,2,5-6,9-10H2.
What are the key properties of cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one?
cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one has a molecular weight of 1437.02 g/mol, XLogP of 24.56, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one is sourced from PubChem (CID 157420424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).