9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene

C43H44O2S — CID 162192450

IUPAC9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESC.C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H22.C14H14O2S.2CH4/c1-19-11-15-21(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;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;;/h3-18H,1-2H3;3-10H,1-2H3;2*1H4
InChIKeyZQMHUTWIMUIGDI-UHFFFAOYSA-N
MW624.89 g/mol
LogP11.07
Rot. Bonds4

About 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene

9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene (PubChem CID 162192450) has the molecular formula C43H44O2S and a molecular weight of 624.89 g/mol. Its IUPAC name is 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
PubChem CID162192450
Molecular FormulaC43H44O2S
Molecular Weight624.89 g/mol
Exact Mass624.31
IUPAC Name9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESC.C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H22.C14H14O2S.2CH4/c1-19-11-15-21(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;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;;/h3-18H,1-2H3;3-10H,1-2H3;2*1H4
InChIKeyZQMHUTWIMUIGDI-UHFFFAOYSA-N
XLogP11.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.89
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
CID 122401705
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
methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 160735340
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
[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
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
CID 152900210
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methane
CID 145331804

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene (CID 162192450) is 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene is C.C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The InChIKey is ZQMHUTWIMUIGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22.C14H14O2S.2CH4/c1-19-11-15-21(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;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;;/h3-18H,1-2H3;3-10H,1-2H3;2*1H4.
What are the key properties of 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene has a molecular weight of 624.89 g/mol, XLogP of 11.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 162192450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).