benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one

C331H319F3O44S — CID 159251951

IUPACbenzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one
SMILESCC(C)=O.COC.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.Cc1ccc(C(=O)Oc2ccc(C(C)(c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)C(F)(F)F)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc3ccccc3c2-c2c(OC(=O)c3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(C(=O)Oc2ccc3ccccc3c2Cc2c(OC(=O)c3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C39H32O4.C38H30O4.C33H29F3O4.C30H26O6S.C18H14.4C15H14O2.C12H10.8C10H12O2.C10H8.C6H6.C3H6O.C2H6O/c1-24-13-15-30(21-26(24)3)38(40)42-36-19-17-28-9-5-7-11-32(28)34(36)23-35-33-12-8-6-10-29(33)18-20-37(35)43-39(41)31-16-14-25(2)27(4)22-31;1-23-13-15-29(21-25(23)3)37(39)41-33-19-17-27-9-5-7-11-31(27)35(33)36-32-12-8-6-10-28(32)18-20-34(36)42-38(40)30-16-14-24(2)26(4)22-30;1-20-6-8-24(18-22(20)3)30(37)39-28-14-10-26(11-15-28)32(5,33(34,35)36)27-12-16-29(17-13-27)40-31(38)25-9-7-21(2)23(4)19-25;1-19-5-7-23(17-21(19)3)29(31)35-25-9-13-27(14-10-25)37(33,34)28-15-11-26(12-16-28)36-30(32)24-8-6-20(2)22(4)18-24;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;4*1-11-8-9-13(10-12(11)2)15(16)17-14-6-4-3-5-7-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;8*1-7-4-5-9(6-8(7)2)10(11)12-3;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;1-3(2)4;1-3-2/h5-22H,23H2,1-4H3;5-22H,1-4H3;6-19H,1-5H3;5-18H,1-4H3;1-14H;4*3-10H,1-2H3;1-10H;8*4-6H,1-3H3;1-8H;1-6H;1-2H3;1-2H3
InChIKeyKVKFGDJCDCYXMC-UHFFFAOYSA-N
MW5090.21 g/mol
LogP77.58
Rot. Bonds42

About benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one

benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one (PubChem CID 159251951) has the molecular formula C331H319F3O44S and a molecular weight of 5090.21 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one
PubChem CID159251951
Molecular FormulaC331H319F3O44S
Molecular Weight5090.21 g/mol
Exact Mass5086.24
IUPAC Namebenzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one
SMILESCC(C)=O.COC.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.Cc1ccc(C(=O)Oc2ccc(C(C)(c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)C(F)(F)F)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc3ccccc3c2-c2c(OC(=O)c3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(C(=O)Oc2ccc3ccccc3c2Cc2c(OC(=O)c3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C39H32O4.C38H30O4.C33H29F3O4.C30H26O6S.C18H14.4C15H14O2.C12H10.8C10H12O2.C10H8.C6H6.C3H6O.C2H6O/c1-24-13-15-30(21-26(24)3)38(40)42-36-19-17-28-9-5-7-11-32(28)34(36)23-35-33-12-8-6-10-29(33)18-20-37(35)43-39(41)31-16-14-25(2)27(4)22-31;1-23-13-15-29(21-25(23)3)37(39)41-33-19-17-27-9-5-7-11-31(27)35(33)36-32-12-8-6-10-28(32)18-20-34(36)42-38(40)30-16-14-24(2)26(4)22-30;1-20-6-8-24(18-22(20)3)30(37)39-28-14-10-26(11-15-28)32(5,33(34,35)36)27-12-16-29(17-13-27)40-31(38)25-9-7-21(2)23(4)19-25;1-19-5-7-23(17-21(19)3)29(31)35-25-9-13-27(14-10-25)37(33,34)28-15-11-26(12-16-28)36-30(32)24-8-6-20(2)22(4)18-24;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;4*1-11-8-9-13(10-12(11)2)15(16)17-14-6-4-3-5-7-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;8*1-7-4-5-9(6-8(7)2)10(11)12-3;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;1-3(2)4;1-3-2/h5-22H,23H2,1-4H3;5-22H,1-4H3;6-19H,1-5H3;5-18H,1-4H3;1-14H;4*3-10H,1-2H3;1-10H;8*4-6H,1-3H3;1-8H;1-6H;1-2H3;1-2H3
InChIKeyKVKFGDJCDCYXMC-UHFFFAOYSA-N
XLogP77.58
TPSA586.44 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds42
Heavy Atoms379
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005090.21
LogP ≤ 577.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one with MolForge

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Related Compounds

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CID 57560421
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CID 57560431
[4-[4-[2-Fluoro-4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57560434
[4-[3-[3-(3,3-Dimethylbutyl)-4-[4-(2,2-dimethylpropyl-dihydroxy-oxo-lambda6-sulfanyl)phenoxy]benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
CID 58769523
[4-[3-[3-(3,3-Dimethylbutyl)-4-[6-(3,3-dimethylbutyl)-8-(2,2-dimethylpropyl-dihydroxy-oxo-lambda6-sulfanyl)naphthalen-2-yl]oxybenzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
CID 58769591
[4-[3-[4-[4-(Tert-butyl-dihydroxy-oxo-lambda6-sulfanyl)phenoxy]-3-(2,2-dimethylpropyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
CID 58769604
[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
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[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 59165225

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one?
The IUPAC name of benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one (CID 159251951) is benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one.
What is the SMILES notation for benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one?
The canonical SMILES for benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one is CC(C)=O.COC.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.COC(=O)c1ccc(C)c(C)c1.Cc1ccc(C(=O)Oc2ccc(C(C)(c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)C(F)(F)F)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)Oc2ccc3ccccc3c2-c2c(OC(=O)c3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(C(=O)Oc2ccc3ccccc3c2Cc2c(OC(=O)c3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.Cc1ccc(C(=O)Oc2ccccc2)cc1C.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one?
The InChIKey is KVKFGDJCDCYXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32O4.C38H30O4.C33H29F3O4.C30H26O6S.C18H14.4C15H14O2.C12H10.8C10H12O2.C10H8.C6H6.C3H6O.C2H6O/c1-24-13-15-30(21-26(24)3)38(40)42-36-19-17-28-9-5-7-11-32(28)34(36)23-35-33-12-8-6-10-29(33)18-20-37(35)43-39(41)31-16-14-25(2)27(4)22-31;1-23-13-15-29(21-25(23)3)37(39)41-33-19-17-27-9-5-7-11-31(27)35(33)36-32-12-8-6-10-28(32)18-20-34(36)42-38(40)30-16-14-24(2)26(4)22-30;1-20-6-8-24(18-22(20)3)30(37)39-28-14-10-26(11-15-28)32(5,33(34,35)36)27-12-16-29(17-13-27)40-31(38)25-9-7-21(2)23(4)19-25;1-19-5-7-23(17-21(19)3)29(31)35-25-9-13-27(14-10-25)37(33,34)28-15-11-26(12-16-28)36-30(32)24-8-6-20(2)22(4)18-24;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;4*1-11-8-9-13(10-12(11)2)15(16)17-14-6-4-3-5-7-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;8*1-7-4-5-9(6-8(7)2)10(11)12-3;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;1-3(2)4;1-3-2/h5-22H,23H2,1-4H3;5-22H,1-4H3;6-19H,1-5H3;5-18H,1-4H3;1-14H;4*3-10H,1-2H3;1-10H;8*4-6H,1-3H3;1-8H;1-6H;1-2H3;1-2H3.
What are the key properties of benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one?
benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one has a molecular weight of 5090.21 g/mol, XLogP of 77.58, 42 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1'-biphenyl;[1-[[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 3,4-dimethylbenzoate;[1-[2-(3,4-dimethylbenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]sulfonylphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;1,4-diphenylbenzene;methoxymethane;octakis(methyl 3,4-dimethylbenzoate);naphthalene;tetrakis(phenyl 3,4-dimethylbenzoate);propan-2-one is sourced from PubChem (CID 159251951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).