bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene)

C288H392F6O21S2 — CID 159654568

IUPACbis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene)
SMILESCC(C)C1C2C=CC(C1C(C)C)C(C(C)C)C2C(C)C.CC(C)C1C2C=CC(C1C(C)C)C(C(C)C)C2C(C)C.CC(C)C1C2C=CC(C1C(C)C)C(C(C)C)C2C(C)C.CC(C)c1cc(-c2ccc(O)c(C(C)C)c2)ccc1O.CC(C)c1cc(C(=O)O)cc(C(C)C)c1.CC(C)c1cc(C(c2ccc(O)c(C(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.CC(C)c1ccc(Cc2ccc(C(C)C)c(C(=O)O)c2)cc1OC=O.CC(C)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.CC(C)c1ccc(Oc2ccc(C(C)C)c(C(C)C)c2)cc1C(C)C.CC(C)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C(C)C)c4)cc3)cc2)c1.CC(C)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C(C)C)c4)cc3)cc2)c1.CC1=CC(C2CC(C)C2C)CC(C(C)C)C1C(C)C.CC1=CC(C2CC(C)C2C)CC(C(C)C)C1C(C)C
InChIInChI=1S/C33H36O2.2C30H30O4S.C24H34O.C21H22F6O2.C21H24O4.3C20H36.2C19H34.C18H22O2.C13H18O2/c1-23(2)25-7-15-29(16-8-25)34-31-19-11-27(12-20-31)33(5,6)28-13-21-32(22-14-28)35-30-17-9-26(10-18-30)24(3)4;2*1-21(2)23-7-5-9-27(19-23)33-25-11-15-29(16-12-25)35(31,32)30-17-13-26(14-18-30)34-28-10-6-8-24(20-28)22(3)4;1-15(2)21-11-9-19(13-23(21)17(5)6)25-20-10-12-22(16(3)4)24(14-20)18(7)8;1-11(2)15-9-13(5-7-17(15)28)19(20(22,23)24,21(25,26)27)14-6-8-18(29)16(10-14)12(3)4;1-13(2)17-7-5-15(10-19(17)21(23)24)9-16-6-8-18(14(3)4)20(11-16)25-12-22;3*1-11(2)17-15-9-10-16(18(17)12(3)4)20(14(7)8)19(15)13(5)6;2*1-11(2)17-10-16(18-9-13(5)15(18)7)8-14(6)19(17)12(3)4;1-11(2)15-9-13(5-7-17(15)19)14-6-8-18(20)16(10-14)12(3)4;1-8(2)10-5-11(9(3)4)7-12(6-10)13(14)15/h7-24H,1-6H3;2*5-22H,1-4H3;9-18H,1-8H3;5-12,28-29H,1-4H3;5-8,10-14H,9H2,1-4H3,(H,23,24);3*9-20H,1-8H3;2*8,11-13,15-19H,9-10H2,1-7H3;5-12,19-20H,1-4H3;5-9H,1-4H3,(H,14,15)
InChIKeyMRZXPQRCOROPSB-UHFFFAOYSA-N
MW4368.40 g/mol
LogP83.93
Rot. Bonds65

About bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene)

bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene) (PubChem CID 159654568) has the molecular formula C288H392F6O21S2 and a molecular weight of 4368.40 g/mol. Its IUPAC name is bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene).

Molecular Properties

Compound Namebis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene)
PubChem CID159654568
Molecular FormulaC288H392F6O21S2
Molecular Weight4368.40 g/mol
Exact Mass4364.90
IUPAC Namebis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene)
SMILESCC(C)C1C2C=CC(C1C(C)C)C(C(C)C)C2C(C)C.CC(C)C1C2C=CC(C1C(C)C)C(C(C)C)C2C(C)C.CC(C)C1C2C=CC(C1C(C)C)C(C(C)C)C2C(C)C.CC(C)c1cc(-c2ccc(O)c(C(C)C)c2)ccc1O.CC(C)c1cc(C(=O)O)cc(C(C)C)c1.CC(C)c1cc(C(c2ccc(O)c(C(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.CC(C)c1ccc(Cc2ccc(C(C)C)c(C(=O)O)c2)cc1OC=O.CC(C)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.CC(C)c1ccc(Oc2ccc(C(C)C)c(C(C)C)c2)cc1C(C)C.CC(C)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C(C)C)c4)cc3)cc2)c1.CC(C)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C(C)C)c4)cc3)cc2)c1.CC1=CC(C2CC(C)C2C)CC(C(C)C)C1C(C)C.CC1=CC(C2CC(C)C2C)CC(C(C)C)C1C(C)C
InChIInChI=1S/C33H36O2.2C30H30O4S.C24H34O.C21H22F6O2.C21H24O4.3C20H36.2C19H34.C18H22O2.C13H18O2/c1-23(2)25-7-15-29(16-8-25)34-31-19-11-27(12-20-31)33(5,6)28-13-21-32(22-14-28)35-30-17-9-26(10-18-30)24(3)4;2*1-21(2)23-7-5-9-27(19-23)33-25-11-15-29(16-12-25)35(31,32)30-17-13-26(14-18-30)34-28-10-6-8-24(20-28)22(3)4;1-15(2)21-11-9-19(13-23(21)17(5)6)25-20-10-12-22(16(3)4)24(14-20)18(7)8;1-11(2)15-9-13(5-7-17(15)28)19(20(22,23)24,21(25,26)27)14-6-8-18(29)16(10-14)12(3)4;1-13(2)17-7-5-15(10-19(17)21(23)24)9-16-6-8-18(14(3)4)20(11-16)25-12-22;3*1-11(2)17-15-9-10-16(18(17)12(3)4)20(14(7)8)19(15)13(5)6;2*1-11(2)17-10-16(18-9-13(5)15(18)7)8-14(6)19(17)12(3)4;1-11(2)15-9-13(5-7-17(15)19)14-6-8-18(20)16(10-14)12(3)4;1-8(2)10-5-11(9(3)4)7-12(6-10)13(14)15/h7-24H,1-6H3;2*5-22H,1-4H3;9-18H,1-8H3;5-12,28-29H,1-4H3;5-8,10-14H,9H2,1-4H3,(H,23,24);3*9-20H,1-8H3;2*8,11-13,15-19H,9-10H2,1-7H3;5-12,19-20H,1-4H3;5-9H,1-4H3,(H,14,15)
InChIKeyMRZXPQRCOROPSB-UHFFFAOYSA-N
XLogP83.93
TPSA314.71 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds65
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004368.40
LogP ≤ 583.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-Difluoro-5-(phenylsulfonyl)pentyl 6-(3-((3r,5r,7r)-adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate
CID 163297716
[3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]butoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl] hydrogen sulfite
CID 58795320
Triphenylsulfonium 1,1,3,3,3-pentafluoro-2-(6-methacryloyloxy-naphthalene-2-carbonyloxy)-propane-1-sulfonate
CID 86639516
(4-Fluorophenyl)methyl 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]ethyl]benzoate
CID 89946351
[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-Dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone
CID 118474105
2-(1-Adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-[[3-(4-butan-2-ylbenzoyl)oxy-1-adamantyl]methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
CID 123694422
[1,1,1,3,3-Pentafluoro-3-(triphenyl-lambda4-sulfanyl)oxysulfonylpropan-2-yl] 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate
CID 140157097
2-[6-(4-Diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoroethanesulfonate
CID 154594436
Hexakis(carbon dioxide);2,5-dimethylbenzoic acid;5-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-2-methylbenzoic acid;2-methyl-5-(4-methylbenzoyl)benzoic acid;2-methyl-5-(4-methylphenoxy)benzoic acid;2-methyl-5-(4-methylphenyl)benzoic acid;2-methyl-5-(4-methylphenyl)sulfonylbenzoic acid
CID 157127959
4-[2-(4-Butan-2-yl-2-methoxycarbonylphenoxy)ethoxy]benzenesulfonate;1-butan-2-yl-5-(1-methoxyethoxy)naphthalene;5-butan-2-ylnaphthalen-1-ol;3-(5-butan-2-ylnaphthalen-1-yl)oxy-1,1-difluoro-3-oxopropane-1-sulfonate;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate;tris(triphenylsulfanium)
CID 157239278
3,5-Dimethylbenzoic acid;[5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;5-methyl-2-(4-methyl-2-sulfophenyl)benzenesulfonic acid;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethyl-5-[(3,4,5-trimethylphenyl)methyl]benzene
CID 157280796
[4-[2-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[2-[2-methyl-4-(2-methylprop-2-enoyloxymethoxy)phenyl]acetyl]oxyphenyl]propan-2-yl]phenoxy]-2-oxoethyl]-3-methylphenoxy]methyl 2-methylprop-2-enoate;methane;[3-methyl-4-[2-[4-[4-[2-[2-methyl-4-(2-methylprop-2-enoyloxymethoxy)phenyl]acetyl]oxyphenyl]sulfonylphenoxy]-2-oxoethyl]phenoxy]methyl 2-methylprop-2-enoate
CID 157283890

Frequently Asked Questions

What is the IUPAC name of bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene)?
The IUPAC name of bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene) (CID 159654568) is bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene).
What is the SMILES notation for bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene)?
The canonical SMILES for bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene) is CC(C)C1C2C=CC(C1C(C)C)C(C(C)C)C2C(C)C.CC(C)C1C2C=CC(C1C(C)C)C(C(C)C)C2C(C)C.CC(C)C1C2C=CC(C1C(C)C)C(C(C)C)C2C(C)C.CC(C)c1cc(-c2ccc(O)c(C(C)C)c2)ccc1O.CC(C)c1cc(C(=O)O)cc(C(C)C)c1.CC(C)c1cc(C(c2ccc(O)c(C(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.CC(C)c1ccc(Cc2ccc(C(C)C)c(C(=O)O)c2)cc1OC=O.CC(C)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.CC(C)c1ccc(Oc2ccc(C(C)C)c(C(C)C)c2)cc1C(C)C.CC(C)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C(C)C)c4)cc3)cc2)c1.CC(C)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C(C)C)c4)cc3)cc2)c1.CC1=CC(C2CC(C)C2C)CC(C(C)C)C1C(C)C.CC1=CC(C2CC(C)C2C)CC(C(C)C)C1C(C)C.
What is the InChIKey of bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene)?
The InChIKey is MRZXPQRCOROPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O2.2C30H30O4S.C24H34O.C21H22F6O2.C21H24O4.3C20H36.2C19H34.C18H22O2.C13H18O2/c1-23(2)25-7-15-29(16-8-25)34-31-19-11-27(12-20-31)33(5,6)28-13-21-32(22-14-28)35-30-17-9-26(10-18-30)24(3)4;2*1-21(2)23-7-5-9-27(19-23)33-25-11-15-29(16-12-25)35(31,32)30-17-13-26(14-18-30)34-28-10-6-8-24(20-28)22(3)4;1-15(2)21-11-9-19(13-23(21)17(5)6)25-20-10-12-22(16(3)4)24(14-20)18(7)8;1-11(2)15-9-13(5-7-17(15)28)19(20(22,23)24,21(25,26)27)14-6-8-18(29)16(10-14)12(3)4;1-13(2)17-7-5-15(10-19(17)21(23)24)9-16-6-8-18(14(3)4)20(11-16)25-12-22;3*1-11(2)17-15-9-10-16(18(17)12(3)4)20(14(7)8)19(15)13(5)6;2*1-11(2)17-10-16(18-9-13(5)15(18)7)8-14(6)19(17)12(3)4;1-11(2)15-9-13(5-7-17(15)19)14-6-8-18(20)16(10-14)12(3)4;1-8(2)10-5-11(9(3)4)7-12(6-10)13(14)15/h7-24H,1-6H3;2*5-22H,1-4H3;9-18H,1-8H3;5-12,28-29H,1-4H3;5-8,10-14H,9H2,1-4H3,(H,23,24);3*9-20H,1-8H3;2*8,11-13,15-19H,9-10H2,1-7H3;5-12,19-20H,1-4H3;5-9H,1-4H3,(H,14,15).
What are the key properties of bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene)?
bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene) has a molecular weight of 4368.40 g/mol, XLogP of 83.93, 65 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(2,3-dimethylcyclobutyl)-1-methyl-5,6-di(propan-2-yl)cyclohexene);3,5-di(propan-2-yl)benzoic acid;4-[3,4-di(propan-2-yl)phenoxy]-1,2-di(propan-2-yl)benzene;5-[(3-formyloxy-4-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzoic acid;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;4-(4-hydroxy-3-propan-2-ylphenyl)-2-propan-2-ylphenol;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis(1-propan-2-yl-3-[4-[4-(3-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene);tris(5,6,7,8-tetra(propan-2-yl)bicyclo[2.2.2]oct-2-ene) is sourced from PubChem (CID 159654568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).