9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane

C127H168F6O7S2 — CID 158820752

About 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane

9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane (PubChem CID 158820752) has the molecular formula C127H168F6O7S2 and a molecular weight of 1984.86 g/mol. Its IUPAC name is 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane.

Molecular Properties

• Compound Name: 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane
• PubChem CID: 158820752
• Molecular Formula: C127H168F6O7S2
• Molecular Weight: 1984.86 g/mol
• Exact Mass: 1983.21
• IUPAC Name: 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane
• SMILES: CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC1(C)CCCCC1.CC1(C)c2ccccc2-c2ccccc21.CCC.COC.COc1ccc(OC)cc1.CS(C)(=O)=O.CSC.Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C27H22.C22H18O2.C15H14.2C14H22.C8H10O2.C8H16.C5H6F6.C5H12.C3H8.C2H6O2S.C2H6O.C2H6S/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;1-15-3-7-17(8-4-15)21(23)19-11-13-20(14-12-19)22(24)18-9-5-16(2)6-10-18;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-9-7-3-5-8(10-2)6-4-7;1-8(2)6-4-3-5-7-8;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3-2;1-5(2,3)4;2*1-3-2/h3-18H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;2*7-10H,1-6H3;3-6H,1-2H3;3-7H2,1-2H3;1-2H3;1-4H3;3H2,1-2H3;1-2H3;2*1-2H3
• InChIKey: IVVJMNCBWFIHEY-UHFFFAOYSA-N
• XLogP: 36.18
• TPSA: 95.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1984.86
LogP ≤ 5	36.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane?

The IUPAC name of 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane (CID 158820752) is 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane.

What is the SMILES notation for 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane?

The canonical SMILES for 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane is CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC1(C)CCCCC1.CC1(C)c2ccccc2-c2ccccc21.CCC.COC.COc1ccc(OC)cc1.CS(C)(=O)=O.CSC.Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane?

The InChIKey is IVVJMNCBWFIHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22.C22H18O2.C15H14.2C14H22.C8H10O2.C8H16.C5H6F6.C5H12.C3H8.C2H6O2S.C2H6O.C2H6S/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;1-15-3-7-17(8-4-15)21(23)19-11-13-20(14-12-19)22(24)18-9-5-16(2)6-10-18;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-9-7-3-5-8(10-2)6-4-7;1-8(2)6-4-3-5-7-8;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3-2;1-5(2,3)4;2*1-3-2/h3-18H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;2*7-10H,1-6H3;3-6H,1-2H3;3-7H2,1-2H3;1-2H3;1-4H3;3H2,1-2H3;1-2H3;2*1-2H3.

What are the key properties of 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane?

9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane has a molecular weight of 1984.86 g/mol, XLogP of 36.18, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane is sourced from PubChem (CID 158820752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).