benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one

C319H327F3O22 — CID 158846643

IUPACbenzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one
SMILESCC(C)=O.COC.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)c(C)c4)cc3)C(F)(F)F)cc2)cc1C.Cc1ccc(Oc2ccc(C(C)(c3ccccc3)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(Oc2ccc3ccccc3c2Cc2c(Oc3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C37H32O2.C36H30O2.C36H34O2.C31H29F3O2.C18H14.4C14H14O.C12H10.C10H8.8C9H12O.C6H6.C3H6O.C2H6O/c1-24-13-17-30(21-26(24)3)38-36-19-15-28-9-5-7-11-32(28)34(36)23-35-33-12-8-6-10-29(33)16-20-37(35)39-31-18-14-25(2)27(4)22-31;1-23-13-17-29(21-25(23)3)37-33-19-15-27-9-5-7-11-31(27)35(33)36-32-12-8-6-10-28(32)16-20-34(36)38-30-18-14-24(2)26(4)22-30;1-25-11-17-34(23-27(25)3)37-32-19-13-30(14-20-32)36(5,29-9-7-6-8-10-29)31-15-21-33(22-16-31)38-35-18-12-26(2)28(4)24-35;1-20-6-12-28(18-22(20)3)35-26-14-8-24(9-15-26)30(5,31(32,33)34)25-10-16-27(17-11-25)36-29-13-7-21(2)23(4)19-29;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;4*1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;8*1-7-4-5-9(10-3)6-8(7)2;1-2-4-6-5-3-1;1-3(2)4;1-3-2/h5-22H,23H2,1-4H3;5-22H,1-4H3;6-24H,1-5H3;6-19H,1-5H3;1-14H;4*3-10H,1-2H3;1-10H;1-8H;8*4-6H,1-3H3;1-6H;1-2H3;1-2H3
InChIKeyIYXMGRWFOMNRHE-UHFFFAOYSA-N
MW4570.10 g/mol
LogP88.75
Rot. Bonds43

About benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one

benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one (PubChem CID 158846643) has the molecular formula C319H327F3O22 and a molecular weight of 4570.10 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one
PubChem CID158846643
Molecular FormulaC319H327F3O22
Molecular Weight4570.10 g/mol
Exact Mass4566.44
IUPAC Namebenzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one
SMILESCC(C)=O.COC.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)c(C)c4)cc3)C(F)(F)F)cc2)cc1C.Cc1ccc(Oc2ccc(C(C)(c3ccccc3)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(Oc2ccc3ccccc3c2Cc2c(Oc3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C37H32O2.C36H30O2.C36H34O2.C31H29F3O2.C18H14.4C14H14O.C12H10.C10H8.8C9H12O.C6H6.C3H6O.C2H6O/c1-24-13-17-30(21-26(24)3)38-36-19-15-28-9-5-7-11-32(28)34(36)23-35-33-12-8-6-10-29(33)16-20-37(35)39-31-18-14-25(2)27(4)22-31;1-23-13-17-29(21-25(23)3)37-33-19-15-27-9-5-7-11-31(27)35(33)36-32-12-8-6-10-28(32)16-20-34(36)38-30-18-14-24(2)26(4)22-30;1-25-11-17-34(23-27(25)3)37-32-19-13-30(14-20-32)36(5,29-9-7-6-8-10-29)31-15-21-33(22-16-31)38-35-18-12-26(2)28(4)24-35;1-20-6-12-28(18-22(20)3)35-26-14-8-24(9-15-26)30(5,31(32,33)34)25-10-16-27(17-11-25)36-29-13-7-21(2)23(4)19-29;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;4*1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;8*1-7-4-5-9(10-3)6-8(7)2;1-2-4-6-5-3-1;1-3(2)4;1-3-2/h5-22H,23H2,1-4H3;5-22H,1-4H3;6-24H,1-5H3;6-19H,1-5H3;1-14H;4*3-10H,1-2H3;1-10H;1-8H;8*4-6H,1-3H3;1-6H;1-2H3;1-2H3
InChIKeyIYXMGRWFOMNRHE-UHFFFAOYSA-N
XLogP88.75
TPSA210.90 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds43
Heavy Atoms344
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004570.10
LogP ≤ 588.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one with MolForge

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Related Compounds

[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
CID 58858848
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158339825
2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene
CID 139562283
1-ethoxy-4-methylbenzene;1-fluoro-4-methylbenzene;methane;2-methoxy-1,4-dimethylbenzene;1-methoxy-4-methylbenzene;2-methylnaphthalene;1-methyl-4-phenylbenzene;1-methyl-4-(trifluoromethyl)benzene;toluene;1,4-xylene
CID 162225439
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene
CID 157348839
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
1,1'-biphenyl;bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 158595488
2-[4-[[3-(4-methoxyphenyl)-5-phenylphenyl]methoxy]-2-methylphenoxy]acetic acid;2-[2-methyl-4-[[3-naphthalen-2-yl-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid
CID 90915629
bis[4-(4-methylphenoxy)phenyl]methanone;bis(4-methylphenyl)methanone;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-4-methyl-2-(trifluoromethyl)benzene;methane;2-methoxy-1-(2-methoxy-4-methylphenyl)-4-methylbenzene;1-methyl-2-(3-methylphenoxy)benzene;1-methyl-4-[(4-methylphenoxy)methoxy]benzene;4-methyl-1-(4-methylphenoxy)-2-(trifluoromethyl)benzene;4-methyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3,4-trimethyl-2,5-bis(4-methylphenoxy)benzene
CID 159986869
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
CID 20709048

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one?
The IUPAC name of benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one (CID 158846643) is benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one.
What is the SMILES notation for benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one?
The canonical SMILES for benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one is CC(C)=O.COC.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)c(C)c4)cc3)C(F)(F)F)cc2)cc1C.Cc1ccc(Oc2ccc(C(C)(c3ccccc3)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(Oc2ccc3ccccc3c2Cc2c(Oc3ccc(C)c(C)c3)ccc3ccccc23)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.Cc1ccc(Oc2ccccc2)cc1C.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one?
The InChIKey is IYXMGRWFOMNRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32O2.C36H30O2.C36H34O2.C31H29F3O2.C18H14.4C14H14O.C12H10.C10H8.8C9H12O.C6H6.C3H6O.C2H6O/c1-24-13-17-30(21-26(24)3)38-36-19-15-28-9-5-7-11-32(28)34(36)23-35-33-12-8-6-10-29(33)16-20-37(35)39-31-18-14-25(2)27(4)22-31;1-23-13-17-29(21-25(23)3)37-33-19-15-27-9-5-7-11-31(27)35(33)36-32-12-8-6-10-28(32)16-20-34(36)38-30-18-14-24(2)26(4)22-30;1-25-11-17-34(23-27(25)3)37-32-19-13-30(14-20-32)36(5,29-9-7-6-8-10-29)31-15-21-33(22-16-31)38-35-18-12-26(2)28(4)24-35;1-20-6-12-28(18-22(20)3)35-26-14-8-24(9-15-26)30(5,31(32,33)34)25-10-16-27(17-11-25)36-29-13-7-21(2)23(4)19-29;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;4*1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;8*1-7-4-5-9(10-3)6-8(7)2;1-2-4-6-5-3-1;1-3(2)4;1-3-2/h5-22H,23H2,1-4H3;5-22H,1-4H3;6-24H,1-5H3;6-19H,1-5H3;1-14H;4*3-10H,1-2H3;1-10H;1-8H;8*4-6H,1-3H3;1-6H;1-2H3;1-2H3.
What are the key properties of benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one?
benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one has a molecular weight of 4570.10 g/mol, XLogP of 88.75, 43 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1'-biphenyl;tetrakis(1,2-dimethyl-4-phenoxybenzene);2-(3,4-dimethylphenoxy)-1-[[2-(3,4-dimethylphenoxy)naphthalen-1-yl]methyl]naphthalene;2-(3,4-dimethylphenoxy)-1-[2-(3,4-dimethylphenoxy)naphthalen-1-yl]naphthalene;4-[4-[1-[4-(3,4-dimethylphenoxy)phenyl]-1-phenylethyl]phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,4-diphenylbenzene;octakis(4-methoxy-1,2-dimethylbenzene);methoxymethane;naphthalene;propan-2-one is sourced from PubChem (CID 158846643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).