9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane)

C258H387F3O6S — CID 164965394

About 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane)

9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane) (PubChem CID 164965394) has the molecular formula C258H387F3O6S and a molecular weight of 3673.99 g/mol. Its IUPAC name is 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane).

Molecular Properties

• Compound Name: 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane)
• PubChem CID: 164965394
• Molecular Formula: C258H387F3O6S
• Molecular Weight: 3673.99 g/mol
• Exact Mass: 3670.97
• IUPAC Name: 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane)
• SMILES: CC(C)(C)c1ccc(-c2cccc(C(C)(C)C)c2C(C)(C)C)cc1C(C)(C)C.CC(C)(C)c1ccc(C(C)(C)c2cccc(C(C)(C)C)c2)cc1.CC(C)(C)c1ccc(C(C)(c2cccc(C(C)(C)C)c2)C(F)(F)F)cc1.CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)c(C(C)(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)(C)C.CC(C)(C)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)(C)C)c(C(C)(C)C)c4)cc3)cc2)cc1C(C)(C)C.CC(C)(C)c1ccc(Oc2cccc(C(C)(C)C)c2)cc1.CC(C)(C)c1ccc(S(=O)(=O)c2cccc(C(C)(C)C)c2)cc1.CC(C)(C)c1cccc(Oc2ccccc2C(C)(C)C)c1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
• InChI: InChI=1S/C43H56O2.C41H50.C28H42.C23H29F3.C23H32.C20H26O2S.2C20H26O.10C4H10/c1-39(2,3)35-25-23-33(27-37(35)41(7,8)9)44-31-19-15-29(16-20-31)43(13,14)30-17-21-32(22-18-30)45-34-24-26-36(40(4,5)6)38(28-34)42(10,11)12;1-37(2,3)33-23-21-27(25-35(33)39(7,8)9)41(28-22-24-34(38(4,5)6)36(26-28)40(10,11)12)31-19-15-13-17-29(31)30-18-14-16-20-32(30)41;1-25(2,3)21-17-16-19(18-23(21)27(7,8)9)20-14-13-15-22(26(4,5)6)24(20)28(10,11)12;1-20(2,3)16-11-13-17(14-12-16)22(7,23(24,25)26)19-10-8-9-18(15-19)21(4,5)6;1-21(2,3)17-12-14-18(15-13-17)23(7,8)20-11-9-10-19(16-20)22(4,5)6;1-19(2,3)15-10-12-17(13-11-15)23(21,22)18-9-7-8-16(14-18)20(4,5)6;1-19(2,3)15-10-9-11-16(14-15)21-18-13-8-7-12-17(18)20(4,5)6;1-19(2,3)15-10-12-17(13-11-15)21-18-9-7-8-16(14-18)20(4,5)6;10*1-4(2)3/h15-28H,1-14H3;13-26H,1-12H3;13-18H,1-12H3;8-15H,1-7H3;9-16H,1-8H3;7-14H,1-6H3;2*7-14H,1-6H3;10*4H,1-3H3
• InChIKey: CKJODOCHAYKESF-UHFFFAOYSA-N
• XLogP: 80.21
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3673.99
LogP ≤ 5	80.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane)?

The IUPAC name of 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane) (CID 164965394) is 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane).

What is the SMILES notation for 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane)?

The canonical SMILES for 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane) is CC(C)(C)c1ccc(-c2cccc(C(C)(C)C)c2C(C)(C)C)cc1C(C)(C)C.CC(C)(C)c1ccc(C(C)(C)c2cccc(C(C)(C)C)c2)cc1.CC(C)(C)c1ccc(C(C)(c2cccc(C(C)(C)C)c2)C(F)(F)F)cc1.CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)c(C(C)(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)(C)C.CC(C)(C)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)(C)C)c(C(C)(C)C)c4)cc3)cc2)cc1C(C)(C)C.CC(C)(C)c1ccc(Oc2cccc(C(C)(C)C)c2)cc1.CC(C)(C)c1ccc(S(=O)(=O)c2cccc(C(C)(C)C)c2)cc1.CC(C)(C)c1cccc(Oc2ccccc2C(C)(C)C)c1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.

What is the InChIKey of 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane)?

The InChIKey is CKJODOCHAYKESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56O2.C41H50.C28H42.C23H29F3.C23H32.C20H26O2S.2C20H26O.10C4H10/c1-39(2,3)35-25-23-33(27-37(35)41(7,8)9)44-31-19-15-29(16-20-31)43(13,14)30-17-21-32(22-18-30)45-34-24-26-36(40(4,5)6)38(28-34)42(10,11)12;1-37(2,3)33-23-21-27(25-35(33)39(7,8)9)41(28-22-24-34(38(4,5)6)36(26-28)40(10,11)12)31-19-15-13-17-29(31)30-18-14-16-20-32(30)41;1-25(2,3)21-17-16-19(18-23(21)27(7,8)9)20-14-13-15-22(26(4,5)6)24(20)28(10,11)12;1-20(2,3)16-11-13-17(14-12-16)22(7,23(24,25)26)19-10-8-9-18(15-19)21(4,5)6;1-21(2,3)17-12-14-18(15-13-17)23(7,8)20-11-9-10-19(16-20)22(4,5)6;1-19(2,3)15-10-12-17(13-11-15)23(21,22)18-9-7-8-16(14-18)20(4,5)6;1-19(2,3)15-10-9-11-16(14-15)21-18-13-8-7-12-17(18)20(4,5)6;1-19(2,3)15-10-12-17(13-11-15)21-18-9-7-8-16(14-18)20(4,5)6;10*1-4(2)3/h15-28H,1-14H3;13-26H,1-12H3;13-18H,1-12H3;8-15H,1-7H3;9-16H,1-8H3;7-14H,1-6H3;2*7-14H,1-6H3;10*4H,1-3H3.

What are the key properties of 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane)?

9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane) has a molecular weight of 3673.99 g/mol, XLogP of 80.21, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-bis(3,4-ditert-butylphenyl)fluorene;1-tert-butyl-2-(3-tert-butylphenoxy)benzene;1-tert-butyl-3-(4-tert-butylphenoxy)benzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-tert-butyl-3-(4-tert-butylphenyl)sulfonylbenzene;1-tert-butyl-3-[2-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2-ditert-butyl-4-[4-[2-[4-(3,4-ditert-butylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1,2-ditert-butyl-3-(3,4-ditert-butylphenyl)benzene;decakis(2-methylpropane) is sourced from PubChem (CID 164965394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).