bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene

C111H118O3S — CID 161097071

IUPACbis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene
SMILESCc1cc(C)c2cc(C)ccc2c1.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C)c(C)c1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc2cc(C)c(C)cc2c1
InChIInChI=1S/C29H26.C17H18O.C16H18O2S.C14H16.2C13H14.C9H12/c1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-4-5-12-7-10(2)6-11(3)13(12)8-9;1-9-4-5-12-7-10(2)11(3)8-13(12)6-9;1-7-4-5-8(2)9(3)6-7/h5-18H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3
InChIKeyUHXWKRNRONDSQY-UHFFFAOYSA-N
MW1532.23 g/mol
LogP29.40
Rot. Bonds6

About bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene

bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene (PubChem CID 161097071) has the molecular formula C111H118O3S and a molecular weight of 1532.23 g/mol. Its IUPAC name is bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene.

Molecular Properties

Compound Namebis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene
PubChem CID161097071
Molecular FormulaC111H118O3S
Molecular Weight1532.23 g/mol
Exact Mass1530.88
IUPAC Namebis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene
SMILESCc1cc(C)c2cc(C)ccc2c1.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C)c(C)c1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc2cc(C)c(C)cc2c1
InChIInChI=1S/C29H26.C17H18O.C16H18O2S.C14H16.2C13H14.C9H12/c1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-4-5-12-7-10(2)6-11(3)13(12)8-9;1-9-4-5-12-7-10(2)11(3)8-13(12)6-9;1-7-4-5-8(2)9(3)6-7/h5-18H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3
InChIKeyUHXWKRNRONDSQY-UHFFFAOYSA-N
XLogP29.40
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001532.23
LogP ≤ 529.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene with MolForge

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Related Compounds

tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)
CID 157174733
9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 160966642
methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 160735340
[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone
CID 158080049
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
6-[9-(6-hydroxynaphthalen-2-yl)-2,7-dimethylfluoren-9-yl]naphthalen-2-ol
CID 163275915
9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767
9,9-bis(3,4-dimethylphenyl)fluorene;9,9-bis(4-methylphenyl)fluorene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 161144042
bis(3,4-dimethylphenyl)methanone;9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2,4,5-tetramethylcyclohexane;1,3-xylene;1,4-xylene
CID 161163266
[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;ethane
CID 90983097
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene?
The IUPAC name of bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene (CID 161097071) is bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene.
What is the SMILES notation for bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene?
The canonical SMILES for bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene is Cc1cc(C)c2cc(C)ccc2c1.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C)c(C)c1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc2cc(C)c(C)cc2c1.
What is the InChIKey of bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene?
The InChIKey is UHXWKRNRONDSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26.C17H18O.C16H18O2S.C14H16.2C13H14.C9H12/c1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-4-5-12-7-10(2)6-11(3)13(12)8-9;1-9-4-5-12-7-10(2)11(3)8-13(12)6-9;1-7-4-5-8(2)9(3)6-7/h5-18H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3.
What are the key properties of bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene?
bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene has a molecular weight of 1532.23 g/mol, XLogP of 29.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dimethylphenyl)methanone;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;2,3,6,7-tetramethylnaphthalene;1,2,4-trimethylbenzene;1,3,7-trimethylnaphthalene;2,3,6-trimethylnaphthalene is sourced from PubChem (CID 161097071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).