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

C87H82O2S — CID 161144042

IUPAC9,9-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
SMILESCc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C2(c3ccc(C)c(C)c3)c3ccccc3-c3ccccc32)cc1C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H26.C27H22.C17H20.C14H14O2S/c1-19-13-15-23(17-21(19)3)29(24-16-14-20(2)22(4)18-24)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h5-18H,1-4H3;3-18H,1-2H3;5-12H,1-4H3;3-10H,1-2H3
InChIKeyUNUWIWYACLZMAF-UHFFFAOYSA-N
MW1191.68 g/mol
LogP21.72
Rot. Bonds8

About 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

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 (PubChem CID 161144042) has the molecular formula C87H82O2S and a molecular weight of 1191.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID161144042
Molecular FormulaC87H82O2S
Molecular Weight1191.68 g/mol
Exact Mass1190.60
IUPAC Name9,9-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
SMILESCc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C2(c3ccc(C)c(C)c3)c3ccccc3-c3ccccc32)cc1C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H26.C27H22.C17H20.C14H14O2S/c1-19-13-15-23(17-21(19)3)29(24-16-14-20(2)22(4)18-24)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h5-18H,1-4H3;3-18H,1-2H3;5-12H,1-4H3;3-10H,1-2H3
InChIKeyUNUWIWYACLZMAF-UHFFFAOYSA-N
XLogP21.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.68
LogP ≤ 521.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450
1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene;1-methyl-4-[3-[3-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-(4-methylphenoxy)-3-[3-(4-methylphenoxy)phenyl]sulfonylbenzene
CID 159261526
9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
CID 122401705
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol
CID 158006071
9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
CID 152900210
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
9,9-bis(4-methylphenyl)fluorene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1,3-xylene;1,4-xylene
CID 159722596
methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 160735340
3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
CID 177279524
9,9-bis(4-methylphenyl)fluorene;bis(4-methylphenyl)methanone;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,4-xylene
CID 158075946
1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158838214

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C2(c3ccc(C)c(C)c3)c3ccccc3-c3ccccc32)cc1C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is UNUWIWYACLZMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26.C27H22.C17H20.C14H14O2S/c1-19-13-15-23(17-21(19)3)29(24-16-14-20(2)22(4)18-24)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h5-18H,1-4H3;3-18H,1-2H3;5-12H,1-4H3;3-10H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1191.68 g/mol, XLogP of 21.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161144042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).