tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene

C175H239FN20O10S2 — CID 158847614

About tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene

tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 158847614) has the molecular formula C175H239FN20O10S2 and a molecular weight of 2866.10 g/mol. Its IUPAC name is tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene.

Molecular Properties

• Compound Name: tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene
• PubChem CID: 158847614
• Molecular Formula: C175H239FN20O10S2
• Molecular Weight: 2866.10 g/mol
• Exact Mass: 2863.82
• IUPAC Name: tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene
• SMILES: CC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)OC(=O)n1cc(C(C)(C)C)c2ccccc21.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccc(F)cc1.CC(C)(C)c1ccc2c(cnn2S(C)(=O)=O)c1.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1cnc(N)c(OCC2CC2)c1.CC(C)c1cnn(C(C)C)c1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc2nn(C)cc2cc1C(C)C
• InChI: InChI=1S/C18H18FNO2S.C17H23NO2.C14H19NO.C14H21N.C13H17NO.C12H16N2O2S.C12H18N2O.2C12H16N2.C12H18O.C11H14N2.C11H13N.C9H16N2.C8H14N2/c1-18(2,3)17-12-13-6-4-5-7-16(13)20(17)23(21,22)15-10-8-14(19)9-11-15;1-16(2,3)13-11-18(15(19)20-17(4,5)6)14-10-8-7-9-12(13)14;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)17(4,15)16;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-8(2)11-6-10-7-14(4)13-12(10)5-9(11)3;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-4-10-6-8(5-9-10)7(2)3/h4-12H,1-3H3;7-11H,1-6H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;4-10H,1-3H3,(H,14,15);5-8H,1-4H3;5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);2*5-8H,1-4H3;5-10H,1-4H3;4-8H,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-7H,4H2,1-3H3/b;;;;9-8+
• InChIKey: IZAOIFBQQHPZSO-GFTZOMTMSA-N
• XLogP: 43.95
• TPSA: 345.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2866.10
LogP ≤ 5	43.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene?

The IUPAC name of tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene (CID 158847614) is tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene.

What is the SMILES notation for tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene?

The canonical SMILES for tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene is CC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)OC(=O)n1cc(C(C)(C)C)c2ccccc21.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccc(F)cc1.CC(C)(C)c1ccc2c(cnn2S(C)(=O)=O)c1.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1cnc(N)c(OCC2CC2)c1.CC(C)c1cnn(C(C)C)c1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc2nn(C)cc2cc1C(C)C.

What is the InChIKey of tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene?

The InChIKey is IZAOIFBQQHPZSO-GFTZOMTMSA-N. The full InChI is InChI=1S/C18H18FNO2S.C17H23NO2.C14H19NO.C14H21N.C13H17NO.C12H16N2O2S.C12H18N2O.2C12H16N2.C12H18O.C11H14N2.C11H13N.C9H16N2.C8H14N2/c1-18(2,3)17-12-13-6-4-5-7-16(13)20(17)23(21,22)15-10-8-14(19)9-11-15;1-16(2,3)13-11-18(15(19)20-17(4,5)6)14-10-8-7-9-12(13)14;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)17(4,15)16;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-8(2)11-6-10-7-14(4)13-12(10)5-9(11)3;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-4-10-6-8(5-9-10)7(2)3/h4-12H,1-3H3;7-11H,1-6H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;4-10H,1-3H3,(H,14,15);5-8H,1-4H3;5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);2*5-8H,1-4H3;5-10H,1-4H3;4-8H,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-7H,4H2,1-3H3/b;;;;9-8+;;;;;;;;;.

What are the key properties of tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene?

tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 2866.10 g/mol, XLogP of 43.95, 25 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 158847614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).