bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene

C166H251F3O4S — CID 159837098

IUPACbis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)c1ccc(C(C)(c2ccc(C(C)(C)C)c(C(C)(C)C)c2)C(F)(F)F)cc1C(C)(C)C.CC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C
InChIInChI=1S/C31H45F3.C29H42O.C28H42O2S.C28H42O.C28H42.C22H38/c1-26(2,3)22-16-14-20(18-24(22)28(7,8)9)30(13,31(32,33)34)21-15-17-23(27(4,5)6)25(19-21)29(10,11)12;1-26(2,3)21-15-13-19(17-23(21)28(7,8)9)25(30)20-14-16-22(27(4,5)6)24(18-20)29(10,11)12;1-25(2,3)21-15-13-19(17-23(21)27(7,8)9)31(29,30)20-14-16-22(26(4,5)6)24(18-20)28(10,11)12;1-25(2,3)21-15-13-19(17-23(21)27(7,8)9)29-20-14-16-22(26(4,5)6)24(18-20)28(10,11)12;1-25(2,3)21-15-13-19(17-23(21)27(7,8)9)20-14-16-22(26(4,5)6)24(18-20)28(10,11)12;1-19(2,3)15-13-17(21(7,8)9)18(22(10,11)12)14-16(15)20(4,5)6/h14-19H,1-13H3;13-18H,1-12H3;13-18H,1-12H3;13-18H,1-12H3;13-18H,1-12H3;13-14H,1-12H3
InChIKeyNOFJWUCLYNWLAZ-UHFFFAOYSA-N
MW2399.89 g/mol
LogP49.65
Rot. Bonds9

About bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene

bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene (PubChem CID 159837098) has the molecular formula C166H251F3O4S and a molecular weight of 2399.89 g/mol. Its IUPAC name is bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene.

Molecular Properties

Compound Namebis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene
PubChem CID159837098
Molecular FormulaC166H251F3O4S
Molecular Weight2399.89 g/mol
Exact Mass2397.91
IUPAC Namebis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)c1ccc(C(C)(c2ccc(C(C)(C)C)c(C(C)(C)C)c2)C(F)(F)F)cc1C(C)(C)C.CC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C
InChIInChI=1S/C31H45F3.C29H42O.C28H42O2S.C28H42O.C28H42.C22H38/c1-26(2,3)22-16-14-20(18-24(22)28(7,8)9)30(13,31(32,33)34)21-15-17-23(27(4,5)6)25(19-21)29(10,11)12;1-26(2,3)21-15-13-19(17-23(21)28(7,8)9)25(30)20-14-16-22(27(4,5)6)24(18-20)29(10,11)12;1-25(2,3)21-15-13-19(17-23(21)27(7,8)9)31(29,30)20-14-16-22(26(4,5)6)24(18-20)28(10,11)12;1-25(2,3)21-15-13-19(17-23(21)27(7,8)9)29-20-14-16-22(26(4,5)6)24(18-20)28(10,11)12;1-25(2,3)21-15-13-19(17-23(21)27(7,8)9)20-14-16-22(26(4,5)6)24(18-20)28(10,11)12;1-19(2,3)15-13-17(21(7,8)9)18(22(10,11)12)14-16(15)20(4,5)6/h14-19H,1-13H3;13-18H,1-12H3;13-18H,1-12H3;13-18H,1-12H3;13-18H,1-12H3;13-14H,1-12H3
InChIKeyNOFJWUCLYNWLAZ-UHFFFAOYSA-N
XLogP49.65
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002399.89
LogP ≤ 549.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene with MolForge

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Related Compounds

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CID 58185860

Frequently Asked Questions

What is the IUPAC name of bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene?
The IUPAC name of bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene (CID 159837098) is bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene.
What is the SMILES notation for bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene?
The canonical SMILES for bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene is CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C.CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)c1ccc(C(C)(c2ccc(C(C)(C)C)c(C(C)(C)C)c2)C(F)(F)F)cc1C(C)(C)C.CC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.CC(C)(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C.
What is the InChIKey of bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene?
The InChIKey is NOFJWUCLYNWLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45F3.C29H42O.C28H42O2S.C28H42O.C28H42.C22H38/c1-26(2,3)22-16-14-20(18-24(22)28(7,8)9)30(13,31(32,33)34)21-15-17-23(27(4,5)6)25(19-21)29(10,11)12;1-26(2,3)21-15-13-19(17-23(21)28(7,8)9)25(30)20-14-16-22(27(4,5)6)24(18-20)29(10,11)12;1-25(2,3)21-15-13-19(17-23(21)27(7,8)9)31(29,30)20-14-16-22(26(4,5)6)24(18-20)28(10,11)12;1-25(2,3)21-15-13-19(17-23(21)27(7,8)9)29-20-14-16-22(26(4,5)6)24(18-20)28(10,11)12;1-25(2,3)21-15-13-19(17-23(21)27(7,8)9)20-14-16-22(26(4,5)6)24(18-20)28(10,11)12;1-19(2,3)15-13-17(21(7,8)9)18(22(10,11)12)14-16(15)20(4,5)6/h14-19H,1-13H3;13-18H,1-12H3;13-18H,1-12H3;13-18H,1-12H3;13-18H,1-12H3;13-14H,1-12H3.
What are the key properties of bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene?
bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene has a molecular weight of 2399.89 g/mol, XLogP of 49.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-ditert-butylphenyl)methanone;1,2-ditert-butyl-4-(3,4-ditert-butylphenoxy)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)benzene;1,2-ditert-butyl-4-(3,4-ditert-butylphenyl)sulfonylbenzene;1,2-ditert-butyl-4-[2-(3,4-ditert-butylphenyl)-1,1,1-trifluoropropan-2-yl]benzene;1,2,4,5-tetratert-butylbenzene is sourced from PubChem (CID 159837098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).