5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate)

C132H194ClFIN4O16S6-5 — CID 159009143

IUPAC5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate)
SMILESCC(=O)N(C)c1ccc(CCC2CCC(C)CC2)cc1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(F)cc2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(CCc2ccc(I)cc2)CC1.CC1CCC(CCc2ccc(N3CCOCC3)cc2)CC1.CCn1c2ccccc2c2cc(CCC3CCC(C)CC3)ccc21.Cc1cc(CCC2CCC(C)CC2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C24H26ClNO2.C23H29N.C19H29NO.C18H27FO2S.C18H27NO.C15H21I.5C3H8O2S/c1-15-3-5-17(6-4-15)7-8-18-9-12-22(16(2)13-18)26-23(27)20-11-10-19(25)14-21(20)24(26)28;1-3-24-22-7-5-4-6-20(22)21-16-19(14-15-23(21)24)13-12-18-10-8-17(2)9-11-18;1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)20-12-14-21-15-13-20;1-14(2)22(20,21)13-17-7-5-15(6-8-17)3-4-16-9-11-18(19)12-10-16;1-14-4-6-16(7-5-14)8-9-17-10-12-18(13-11-17)19(3)15(2)20;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;5*1-3(2)6(4)5/h9-15,17H,3-8H2,1-2H3;4-7,14-18H,3,8-13H2,1-2H3;8-11,16-17H,2-7,12-15H2,1H3;9-12,14-15,17H,3-8,13H2,1-2H3;10-14,16H,4-9H2,1-3H3;8-13H,2-7H2,1H3;5*3H,1-2H3,(H,4,5)/p-5
InChIKeySMGFUOYNBICRBU-UHFFFAOYSA-I
MW2466.77 g/mol
LogP32.30
Rot. Bonds30

About 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate)

5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate) (PubChem CID 159009143) has the molecular formula C132H194ClFIN4O16S6-5 and a molecular weight of 2466.77 g/mol. Its IUPAC name is 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate).

Molecular Properties

Compound Name5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate)
PubChem CID159009143
Molecular FormulaC132H194ClFIN4O16S6-5
Molecular Weight2466.77 g/mol
Exact Mass2464.16
IUPAC Name5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate)
SMILESCC(=O)N(C)c1ccc(CCC2CCC(C)CC2)cc1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(F)cc2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(CCc2ccc(I)cc2)CC1.CC1CCC(CCc2ccc(N3CCOCC3)cc2)CC1.CCn1c2ccccc2c2cc(CCC3CCC(C)CC3)ccc21.Cc1cc(CCC2CCC(C)CC2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C24H26ClNO2.C23H29N.C19H29NO.C18H27FO2S.C18H27NO.C15H21I.5C3H8O2S/c1-15-3-5-17(6-4-15)7-8-18-9-12-22(16(2)13-18)26-23(27)20-11-10-19(25)14-21(20)24(26)28;1-3-24-22-7-5-4-6-20(22)21-16-19(14-15-23(21)24)13-12-18-10-8-17(2)9-11-18;1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)20-12-14-21-15-13-20;1-14(2)22(20,21)13-17-7-5-15(6-8-17)3-4-16-9-11-18(19)12-10-16;1-14-4-6-16(7-5-14)8-9-17-10-12-18(13-11-17)19(3)15(2)20;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;5*1-3(2)6(4)5/h9-15,17H,3-8H2,1-2H3;4-7,14-18H,3,8-13H2,1-2H3;8-11,16-17H,2-7,12-15H2,1H3;9-12,14-15,17H,3-8,13H2,1-2H3;10-14,16H,4-9H2,1-3H3;8-13H,2-7H2,1H3;5*3H,1-2H3,(H,4,5)/p-5
InChIKeySMGFUOYNBICRBU-UHFFFAOYSA-I
XLogP32.30
TPSA309.88 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002466.77
LogP ≤ 532.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate)?
The IUPAC name of 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate) (CID 159009143) is 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate).
What is the SMILES notation for 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate)?
The canonical SMILES for 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate) is CC(=O)N(C)c1ccc(CCC2CCC(C)CC2)cc1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(F)cc2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(CCc2ccc(I)cc2)CC1.CC1CCC(CCc2ccc(N3CCOCC3)cc2)CC1.CCn1c2ccccc2c2cc(CCC3CCC(C)CC3)ccc21.Cc1cc(CCC2CCC(C)CC2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate)?
The InChIKey is SMGFUOYNBICRBU-UHFFFAOYSA-I. The full InChI is InChI=1S/C24H26ClNO2.C23H29N.C19H29NO.C18H27FO2S.C18H27NO.C15H21I.5C3H8O2S/c1-15-3-5-17(6-4-15)7-8-18-9-12-22(16(2)13-18)26-23(27)20-11-10-19(25)14-21(20)24(26)28;1-3-24-22-7-5-4-6-20(22)21-16-19(14-15-23(21)24)13-12-18-10-8-17(2)9-11-18;1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)20-12-14-21-15-13-20;1-14(2)22(20,21)13-17-7-5-15(6-8-17)3-4-16-9-11-18(19)12-10-16;1-14-4-6-16(7-5-14)8-9-17-10-12-18(13-11-17)19(3)15(2)20;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;5*1-3(2)6(4)5/h9-15,17H,3-8H2,1-2H3;4-7,14-18H,3,8-13H2,1-2H3;8-11,16-17H,2-7,12-15H2,1H3;9-12,14-15,17H,3-8,13H2,1-2H3;10-14,16H,4-9H2,1-3H3;8-13H,2-7H2,1H3;5*3H,1-2H3,(H,4,5)/p-5.
What are the key properties of 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate)?
5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate) has a molecular weight of 2466.77 g/mol, XLogP of 32.30, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-methyl-4-[2-(4-methylcyclohexyl)ethyl]phenyl]isoindole-1,3-dione;9-ethyl-3-[2-(4-methylcyclohexyl)ethyl]carbazole;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-iodo-4-[2-(4-methylcyclohexyl)ethyl]benzene;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;N-methyl-N-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]acetamide;pentakis(propane-2-sulfinate) is sourced from PubChem (CID 159009143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).