6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole

C209H295N21 — CID 157420302

IUPAC6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole
SMILESC=C1Cc2c(C(C)C)cccc2N1C(C)C.C=C1Cc2cc(C(C)C)ccc2N1C(C)C.C=C1Cc2ccc(C(C)C)cc2N1C(C)C.CC(C)c1ccc2c(c1)CCN2C(C)C.CC(C)c1ccc2c(c1)N(C(C)C)CC2.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1cccc2c1CCN2C(C)C.CC(C)c1cccc2c1ccn2C(C)C.CC(C)c1cccc2c1cnn2C(C)C.CC(C)c1cccc2c1ncn2C(C)C.CC(C)n1ccc2ccc(C(C)(C)C)cc21.CC(C)n1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/4C15H21N.C14H20N2.C14H21N.C14H19N.2C14H21N.C14H19N.5C13H18N2/c1-10(2)13-6-7-15-14(9-13)8-12(5)16(15)11(3)4;1-10(2)13-6-7-14-8-12(5)16(11(3)4)15(14)9-13;1-11(2)16-9-8-12-6-7-13(10-14(12)16)15(3,4)5;1-10(2)13-7-6-8-15-14(13)9-12(5)16(15)11(3)4;1-10(2)16-13-8-12(14(3,4)5)7-6-11(13)9-15-16;2*1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-10(2)13-6-5-12-7-8-15(11(3)4)14(12)9-13;2*1-10(2)12-6-5-7-14-13(12)8-9-15(14)11(3)4;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-9(2)11-6-5-7-13-12(11)8-14-15(13)10(3)4;1-9(2)11-6-5-7-12-13(11)14-8-15(12)10(3)4/h2*6-7,9-11H,5,8H2,1-4H3;6-11H,1-5H3;6-8,10-11H,5,9H2,1-4H3;6-10H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-11H,1-4H3;5-6,9-11H,7-8H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;5-11H,1-4H3;5*5-10H,1-4H3
InChIKeyBPICRZPPEABJTJ-UHFFFAOYSA-N
MW3101.81 g/mol
LogP58.86
Rot. Bonds28

About 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole

6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole (PubChem CID 157420302) has the molecular formula C209H295N21 and a molecular weight of 3101.81 g/mol. Its IUPAC name is 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole.

Molecular Properties

Compound Name6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole
PubChem CID157420302
Molecular FormulaC209H295N21
Molecular Weight3101.81 g/mol
Exact Mass3099.37
IUPAC Name6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole
SMILESC=C1Cc2c(C(C)C)cccc2N1C(C)C.C=C1Cc2cc(C(C)C)ccc2N1C(C)C.C=C1Cc2ccc(C(C)C)cc2N1C(C)C.CC(C)c1ccc2c(c1)CCN2C(C)C.CC(C)c1ccc2c(c1)N(C(C)C)CC2.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1cccc2c1CCN2C(C)C.CC(C)c1cccc2c1ccn2C(C)C.CC(C)c1cccc2c1cnn2C(C)C.CC(C)c1cccc2c1ncn2C(C)C.CC(C)n1ccc2ccc(C(C)(C)C)cc21.CC(C)n1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/4C15H21N.C14H20N2.C14H21N.C14H19N.2C14H21N.C14H19N.5C13H18N2/c1-10(2)13-6-7-15-14(9-13)8-12(5)16(15)11(3)4;1-10(2)13-6-7-14-8-12(5)16(11(3)4)15(14)9-13;1-11(2)16-9-8-12-6-7-13(10-14(12)16)15(3,4)5;1-10(2)13-7-6-8-15-14(13)9-12(5)16(15)11(3)4;1-10(2)16-13-8-12(14(3,4)5)7-6-11(13)9-15-16;2*1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-10(2)13-6-5-12-7-8-15(11(3)4)14(12)9-13;2*1-10(2)12-6-5-7-14-13(12)8-9-15(14)11(3)4;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-9(2)11-6-5-7-13-12(11)8-14-15(13)10(3)4;1-9(2)11-6-5-7-12-13(11)14-8-15(12)10(3)4/h2*6-7,9-11H,5,8H2,1-4H3;6-11H,1-5H3;6-8,10-11H,5,9H2,1-4H3;6-10H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-11H,1-4H3;5-6,9-11H,7-8H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;5-11H,1-4H3;5*5-10H,1-4H3
InChIKeyBPICRZPPEABJTJ-UHFFFAOYSA-N
XLogP58.86
TPSA141.15 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003101.81
LogP ≤ 558.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole?
The IUPAC name of 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole (CID 157420302) is 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole.
What is the SMILES notation for 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole?
The canonical SMILES for 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole is C=C1Cc2c(C(C)C)cccc2N1C(C)C.C=C1Cc2cc(C(C)C)ccc2N1C(C)C.C=C1Cc2ccc(C(C)C)cc2N1C(C)C.CC(C)c1ccc2c(c1)CCN2C(C)C.CC(C)c1ccc2c(c1)N(C(C)C)CC2.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1cccc2c1CCN2C(C)C.CC(C)c1cccc2c1ccn2C(C)C.CC(C)c1cccc2c1cnn2C(C)C.CC(C)c1cccc2c1ncn2C(C)C.CC(C)n1ccc2ccc(C(C)(C)C)cc21.CC(C)n1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole?
The InChIKey is BPICRZPPEABJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H21N.C14H20N2.C14H21N.C14H19N.2C14H21N.C14H19N.5C13H18N2/c1-10(2)13-6-7-15-14(9-13)8-12(5)16(15)11(3)4;1-10(2)13-6-7-14-8-12(5)16(11(3)4)15(14)9-13;1-11(2)16-9-8-12-6-7-13(10-14(12)16)15(3,4)5;1-10(2)13-7-6-8-15-14(13)9-12(5)16(15)11(3)4;1-10(2)16-13-8-12(14(3,4)5)7-6-11(13)9-15-16;2*1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-10(2)13-6-5-12-7-8-15(11(3)4)14(12)9-13;2*1-10(2)12-6-5-7-14-13(12)8-9-15(14)11(3)4;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-9(2)11-6-5-7-13-12(11)8-14-15(13)10(3)4;1-9(2)11-6-5-7-12-13(11)14-8-15(12)10(3)4/h2*6-7,9-11H,5,8H2,1-4H3;6-11H,1-5H3;6-8,10-11H,5,9H2,1-4H3;6-10H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-11H,1-4H3;5-6,9-11H,7-8H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;5-11H,1-4H3;5*5-10H,1-4H3.
What are the key properties of 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole?
6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole has a molecular weight of 3101.81 g/mol, XLogP of 58.86, 28 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole is sourced from PubChem (CID 157420302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).