5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate

C146H209N5O10S — CID 159361163

IUPAC5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate
SMILESCC(C)CCCc1ccc(-c2ccc(SCC3CCC(CCCC(C)C)CC3)cc2)nc1.CCCCCCCCOc1ccc(-c2ccc(OC(=O)C3CCC(CCCC(C)C)CC3)cn2)cc1.CCCCCCCCOc1ccc(-c2ccc(OC(=O)C3CCCCC3)cn2)cc1.CCCCCCCCc1ccc(-c2ccc(OC(=O)C3CCC(CCCC(C)C)CC3)cn2)cc1.CCCCCCCCc1ccc(-c2ccc(OC(=O)C3CCCCC3)cn2)cc1
InChIInChI=1S/C32H47NO3.C32H47NO2.C30H45NS.C26H35NO3.C26H35NO2/c1-4-5-6-7-8-9-23-35-29-19-17-27(18-20-29)31-22-21-30(24-33-31)36-32(34)28-15-13-26(14-16-28)12-10-11-25(2)3;1-4-5-6-7-8-9-12-26-14-18-28(19-15-26)31-23-22-30(24-33-31)35-32(34)29-20-16-27(17-21-29)13-10-11-25(2)3;1-23(2)7-5-9-25-11-13-27(14-12-25)22-32-29-18-16-28(17-19-29)30-20-15-26(21-31-30)10-6-8-24(3)4;1-2-3-4-5-6-10-19-29-23-15-13-21(14-16-23)25-18-17-24(20-27-25)30-26(28)22-11-8-7-9-12-22;1-2-3-4-5-6-8-11-21-14-16-22(17-15-21)25-19-18-24(20-27-25)29-26(28)23-12-9-7-10-13-23/h17-22,24-26,28H,4-16,23H2,1-3H3;14-15,18-19,22-25,27,29H,4-13,16-17,20-21H2,1-3H3;15-21,23-25,27H,5-14,22H2,1-4H3;13-18,20,22H,2-12,19H2,1H3;14-20,23H,2-13H2,1H3
InChIKeyLIOCMKBDYVERFX-UHFFFAOYSA-N
MW2226.37 g/mol
LogP41.78
Rot. Bonds62

About 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate

5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate (PubChem CID 159361163) has the molecular formula C146H209N5O10S and a molecular weight of 2226.37 g/mol. Its IUPAC name is 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate
PubChem CID159361163
Molecular FormulaC146H209N5O10S
Molecular Weight2226.37 g/mol
Exact Mass2224.57
IUPAC Name5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate
SMILESCC(C)CCCc1ccc(-c2ccc(SCC3CCC(CCCC(C)C)CC3)cc2)nc1.CCCCCCCCOc1ccc(-c2ccc(OC(=O)C3CCC(CCCC(C)C)CC3)cn2)cc1.CCCCCCCCOc1ccc(-c2ccc(OC(=O)C3CCCCC3)cn2)cc1.CCCCCCCCc1ccc(-c2ccc(OC(=O)C3CCC(CCCC(C)C)CC3)cn2)cc1.CCCCCCCCc1ccc(-c2ccc(OC(=O)C3CCCCC3)cn2)cc1
InChIInChI=1S/C32H47NO3.C32H47NO2.C30H45NS.C26H35NO3.C26H35NO2/c1-4-5-6-7-8-9-23-35-29-19-17-27(18-20-29)31-22-21-30(24-33-31)36-32(34)28-15-13-26(14-16-28)12-10-11-25(2)3;1-4-5-6-7-8-9-12-26-14-18-28(19-15-26)31-23-22-30(24-33-31)35-32(34)29-20-16-27(17-21-29)13-10-11-25(2)3;1-23(2)7-5-9-25-11-13-27(14-12-25)22-32-29-18-16-28(17-19-29)30-20-15-26(21-31-30)10-6-8-24(3)4;1-2-3-4-5-6-10-19-29-23-15-13-21(14-16-23)25-18-17-24(20-27-25)30-26(28)22-11-8-7-9-12-22;1-2-3-4-5-6-8-11-21-14-16-22(17-15-21)25-19-18-24(20-27-25)29-26(28)23-12-9-7-10-13-23/h17-22,24-26,28H,4-16,23H2,1-3H3;14-15,18-19,22-25,27,29H,4-13,16-17,20-21H2,1-3H3;15-21,23-25,27H,5-14,22H2,1-4H3;13-18,20,22H,2-12,19H2,1H3;14-20,23H,2-13H2,1H3
InChIKeyLIOCMKBDYVERFX-UHFFFAOYSA-N
XLogP41.78
TPSA188.11 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds62
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.37
LogP ≤ 541.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate with MolForge

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Related Compounds

Tris[6-(4-methoxyphenyl)-3-pyridinyl] cyclohexane-1,3,5-tricarboxylate
CID 134179273
[4-[3-(3-Methoxy-2-pyridinyl)phenyl]sulfonylcyclohexyl] 4-[3-(3-methoxy-2-pyridinyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 139762294
5-Butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine
CID 157113063
2-[[3-(4-Tert-butylphenyl)sulfanyl-3-phenylpropyl]-methylamino]acetic acid;2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid;ethyl 2-[[3-(4-tert-butylphenoxy)-3-(4-fluorophenyl)propyl]-methylamino]acetate;ethyl 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetate;ethyl 2-[[3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetate;ethyl 2-[methyl-[3-[(6-methyl-3-pyridinyl)oxy]-3-phenylpropyl]amino]acetate;2-[methyl-[3-[(6-methyl-3-pyridinyl)oxy]-3-phenylpropyl]amino]acetic acid
CID 158051770
3-Methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one
CID 158077753
bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl-diethyl-lambda4-sulfanyl]phenyl]-N-methoxymethanimine;1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl-dimethyl-lambda4-sulfanyl]phenyl]-N-methoxymethanimine;1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl-ethyl-methyl-lambda4-sulfanyl]phenyl]-N-methoxymethanimine;pentakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);ethane;ethene;methane
CID 158831627
Bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one
CID 159540621
2,3-Difluoro-1-[(4-methylcyclohex-3-en-1-yl)methoxy]-4-(4-methylphenyl)benzene;2,3-difluoro-1-[(4-methylcyclohexyl)methoxy]-4-(4-methylphenyl)benzene;[6-(3-fluoro-4-methylphenyl)-3-pyridinyl] 4-methylcyclohexane-1-carboxylate;5-[(4-methylcyclohex-3-en-1-yl)methoxy]-2-(4-methylphenyl)pyridine;5-[(4-methylcyclohexyl)methoxy]-2-(4-methylphenyl)pyridine;1-methyl-4-[4-[(4-methylcyclohex-3-en-1-yl)methoxy]phenyl]benzene;1-methyl-4-[4-[(4-methylcyclohexyl)methoxy]phenyl]benzene
CID 161835759
3-Methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one
CID 162254996
carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one
CID 163735311
2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)
CID 165022164
but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate
CID 167576690

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate?
The IUPAC name of 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate (CID 159361163) is 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate?
The canonical SMILES for 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate is CC(C)CCCc1ccc(-c2ccc(SCC3CCC(CCCC(C)C)CC3)cc2)nc1.CCCCCCCCOc1ccc(-c2ccc(OC(=O)C3CCC(CCCC(C)C)CC3)cn2)cc1.CCCCCCCCOc1ccc(-c2ccc(OC(=O)C3CCCCC3)cn2)cc1.CCCCCCCCc1ccc(-c2ccc(OC(=O)C3CCC(CCCC(C)C)CC3)cn2)cc1.CCCCCCCCc1ccc(-c2ccc(OC(=O)C3CCCCC3)cn2)cc1.
What is the InChIKey of 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate?
The InChIKey is LIOCMKBDYVERFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47NO3.C32H47NO2.C30H45NS.C26H35NO3.C26H35NO2/c1-4-5-6-7-8-9-23-35-29-19-17-27(18-20-29)31-22-21-30(24-33-31)36-32(34)28-15-13-26(14-16-28)12-10-11-25(2)3;1-4-5-6-7-8-9-12-26-14-18-28(19-15-26)31-23-22-30(24-33-31)35-32(34)29-20-16-27(17-21-29)13-10-11-25(2)3;1-23(2)7-5-9-25-11-13-27(14-12-25)22-32-29-18-16-28(17-19-29)30-20-15-26(21-31-30)10-6-8-24(3)4;1-2-3-4-5-6-10-19-29-23-15-13-21(14-16-23)25-18-17-24(20-27-25)30-26(28)22-11-8-7-9-12-22;1-2-3-4-5-6-8-11-21-14-16-22(17-15-21)25-19-18-24(20-27-25)29-26(28)23-12-9-7-10-13-23/h17-22,24-26,28H,4-16,23H2,1-3H3;14-15,18-19,22-25,27,29H,4-13,16-17,20-21H2,1-3H3;15-21,23-25,27H,5-14,22H2,1-4H3;13-18,20,22H,2-12,19H2,1H3;14-20,23H,2-13H2,1H3.
What are the key properties of 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate?
5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate has a molecular weight of 2226.37 g/mol, XLogP of 41.78, 62 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 159361163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).