5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene

C165H232F5N17 — CID 167552144

IUPAC5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene
SMILESC.C=C1Cc2cccc(C(C)(C)C)c2C1.C=C1Nc2cccc(C(C)(C)C)c2N1C.CC(C)(C)c1cc2c(c(F)c1F)CC=C2.CC(C)(C)c1ccc(CCC(F)(F)F)nc1.CC1=NCc2cccc(C(C)(C)C)c21.Cc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1cc(C(C)(C)C)cc2cc[nH]c12.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc2[nH]ccc2cc1C(C)(C)C.Cc1ccccc1C(C)C.Cc1cnc(N)cc1C(C)(C)C
InChIInChI=1S/C14H18.C13H14F2.C13H18N2.4C13H17N.C12H16F3N.5C10H16N2.C10H14.CH4/c1-10-8-11-6-5-7-13(12(11)9-10)14(2,3)4;1-13(2,3)10-7-8-5-4-6-9(8)11(14)12(10)15;1-9-14-11-8-6-7-10(13(2,3)4)12(11)15(9)5;1-9-7-12-10(5-6-14-12)8-11(9)13(2,3)4;1-9-7-11(13(2,3)4)8-10-5-6-14-12(9)10;1-9-7-11(13(2,3)4)10-5-6-14-12(10)8-9;1-9-12-10(8-14-9)6-5-7-11(12)13(2,3)4;1-11(2,3)9-4-5-10(16-8-9)6-7-12(13,14)15;1-7-6-12-9(11)5-8(7)10(2,3)4;4*1-7-5-8(10(2,3)4)6-12-9(7)11;1-8(2)10-7-5-4-6-9(10)3;/h5-7H,1,8-9H2,2-4H3;4-5,7H,6H2,1-3H3;6-8,14H,1H2,2-5H3;3*5-8,14H,1-4H3;5-7H,8H2,1-4H3;4-5,8H,6-7H2,1-3H3;5*5-6H,1-4H3,(H2,11,12);4-8H,1-3H3;1H4
InChIKeyCNWQTFZSJKUSKH-UHFFFAOYSA-N
MW2548.78 g/mol
LogP44.39
Rot. Bonds3

About 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene

5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene (PubChem CID 167552144) has the molecular formula C165H232F5N17 and a molecular weight of 2548.78 g/mol. Its IUPAC name is 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene
PubChem CID167552144
Molecular FormulaC165H232F5N17
Molecular Weight2548.78 g/mol
Exact Mass2546.86
IUPAC Name5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene
SMILESC.C=C1Cc2cccc(C(C)(C)C)c2C1.C=C1Nc2cccc(C(C)(C)C)c2N1C.CC(C)(C)c1cc2c(c(F)c1F)CC=C2.CC(C)(C)c1ccc(CCC(F)(F)F)nc1.CC1=NCc2cccc(C(C)(C)C)c21.Cc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1cc(C(C)(C)C)cc2cc[nH]c12.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc2[nH]ccc2cc1C(C)(C)C.Cc1ccccc1C(C)C.Cc1cnc(N)cc1C(C)(C)C
InChIInChI=1S/C14H18.C13H14F2.C13H18N2.4C13H17N.C12H16F3N.5C10H16N2.C10H14.CH4/c1-10-8-11-6-5-7-13(12(11)9-10)14(2,3)4;1-13(2,3)10-7-8-5-4-6-9(8)11(14)12(10)15;1-9-14-11-8-6-7-10(13(2,3)4)12(11)15(9)5;1-9-7-12-10(5-6-14-12)8-11(9)13(2,3)4;1-9-7-11(13(2,3)4)8-10-5-6-14-12(9)10;1-9-7-11(13(2,3)4)10-5-6-14-12(10)8-9;1-9-12-10(8-14-9)6-5-7-11(12)13(2,3)4;1-11(2,3)9-4-5-10(16-8-9)6-7-12(13,14)15;1-7-6-12-9(11)5-8(7)10(2,3)4;4*1-7-5-8(10(2,3)4)6-12-9(7)11;1-8(2)10-7-5-4-6-9(10)3;/h5-7H,1,8-9H2,2-4H3;4-5,7H,6H2,1-3H3;6-8,14H,1H2,2-5H3;3*5-8,14H,1-4H3;5-7H,8H2,1-4H3;4-5,8H,6-7H2,1-3H3;5*5-6H,1-4H3,(H2,11,12);4-8H,1-3H3;1H4
InChIKeyCNWQTFZSJKUSKH-UHFFFAOYSA-N
XLogP44.39
TPSA282.44 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002548.78
LogP ≤ 544.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene?
The IUPAC name of 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene (CID 167552144) is 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene is C.C=C1Cc2cccc(C(C)(C)C)c2C1.C=C1Nc2cccc(C(C)(C)C)c2N1C.CC(C)(C)c1cc2c(c(F)c1F)CC=C2.CC(C)(C)c1ccc(CCC(F)(F)F)nc1.CC1=NCc2cccc(C(C)(C)C)c21.Cc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1cc(C(C)(C)C)cc2cc[nH]c12.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc2[nH]ccc2cc1C(C)(C)C.Cc1ccccc1C(C)C.Cc1cnc(N)cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene?
The InChIKey is CNWQTFZSJKUSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.C13H14F2.C13H18N2.4C13H17N.C12H16F3N.5C10H16N2.C10H14.CH4/c1-10-8-11-6-5-7-13(12(11)9-10)14(2,3)4;1-13(2,3)10-7-8-5-4-6-9(8)11(14)12(10)15;1-9-14-11-8-6-7-10(13(2,3)4)12(11)15(9)5;1-9-7-12-10(5-6-14-12)8-11(9)13(2,3)4;1-9-7-11(13(2,3)4)8-10-5-6-14-12(9)10;1-9-7-11(13(2,3)4)10-5-6-14-12(10)8-9;1-9-12-10(8-14-9)6-5-7-11(12)13(2,3)4;1-11(2,3)9-4-5-10(16-8-9)6-7-12(13,14)15;1-7-6-12-9(11)5-8(7)10(2,3)4;4*1-7-5-8(10(2,3)4)6-12-9(7)11;1-8(2)10-7-5-4-6-9(10)3;/h5-7H,1,8-9H2,2-4H3;4-5,7H,6H2,1-3H3;6-8,14H,1H2,2-5H3;3*5-8,14H,1-4H3;5-7H,8H2,1-4H3;4-5,8H,6-7H2,1-3H3;5*5-6H,1-4H3,(H2,11,12);4-8H,1-3H3;1H4.
What are the key properties of 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene?
5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene has a molecular weight of 2548.78 g/mol, XLogP of 44.39, 3 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 167552144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).