2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole

C131H194Cl2N8 — CID 160773254

IUPAC2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole
SMILESCC(C)(C)c1cc2cc(Cl)c(C(C)(C)C)cc2[nH]1.CC(C)(C)c1ccc2c(Cl)c(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2c(c1)CCN2C(C)(C)C.CC(C)(C)c1ccc2c(c1)N(C(C)(C)C)CC2.CC(C)(C)c1ccc2ccn(C(C)(C)C)c2c1.CN1c2cc(C(C)(C)C)ccc2CC1C(C)(C)C.Cc1c(C(C)(C)C)[nH]c2cc(C(C)(C)C)ccc12.Cc1c(C(C)(C)C)[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H27N.2C17H25N.2C16H22ClN.2C16H25N.C16H23N/c1-16(2,3)13-9-8-12-10-15(17(4,5)6)18(7)14(12)11-13;1-11-13-10-12(16(2,3)4)8-9-14(13)18-15(11)17(5,6)7;1-11-13-9-8-12(16(2,3)4)10-14(13)18-15(11)17(5,6)7;1-15(2,3)11-9-13-10(7-12(11)17)8-14(18-13)16(4,5)6;1-15(2,3)10-7-8-11-12(9-10)18-14(13(11)17)16(4,5)6;1-15(2,3)13-7-8-14-12(11-13)9-10-17(14)16(4,5)6;2*1-15(2,3)13-8-7-12-9-10-17(14(12)11-13)16(4,5)6/h8-9,11,15H,10H2,1-7H3;2*8-10,18H,1-7H3;2*7-9,18H,1-6H3;2*7-8,11H,9-10H2,1-6H3;7-11H,1-6H3
InChIKeyRZPHSSSDHNVPBZ-UHFFFAOYSA-N
MW1951.95 g/mol
LogP38.35
Rot. Bonds

About 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole

2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole (PubChem CID 160773254) has the molecular formula C131H194Cl2N8 and a molecular weight of 1951.95 g/mol. Its IUPAC name is 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole.

Molecular Properties

Compound Name2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole
PubChem CID160773254
Molecular FormulaC131H194Cl2N8
Molecular Weight1951.95 g/mol
Exact Mass1949.48
IUPAC Name2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole
SMILESCC(C)(C)c1cc2cc(Cl)c(C(C)(C)C)cc2[nH]1.CC(C)(C)c1ccc2c(Cl)c(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2c(c1)CCN2C(C)(C)C.CC(C)(C)c1ccc2c(c1)N(C(C)(C)C)CC2.CC(C)(C)c1ccc2ccn(C(C)(C)C)c2c1.CN1c2cc(C(C)(C)C)ccc2CC1C(C)(C)C.Cc1c(C(C)(C)C)[nH]c2cc(C(C)(C)C)ccc12.Cc1c(C(C)(C)C)[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H27N.2C17H25N.2C16H22ClN.2C16H25N.C16H23N/c1-16(2,3)13-9-8-12-10-15(17(4,5)6)18(7)14(12)11-13;1-11-13-10-12(16(2,3)4)8-9-14(13)18-15(11)17(5,6)7;1-11-13-9-8-12(16(2,3)4)10-14(13)18-15(11)17(5,6)7;1-15(2,3)11-9-13-10(7-12(11)17)8-14(18-13)16(4,5)6;1-15(2,3)10-7-8-11-12(9-10)18-14(13(11)17)16(4,5)6;1-15(2,3)13-7-8-14-12(11-13)9-10-17(14)16(4,5)6;2*1-15(2,3)13-8-7-12-9-10-17(14(12)11-13)16(4,5)6/h8-9,11,15H,10H2,1-7H3;2*8-10,18H,1-7H3;2*7-9,18H,1-6H3;2*7-8,11H,9-10H2,1-6H3;7-11H,1-6H3
InChIKeyRZPHSSSDHNVPBZ-UHFFFAOYSA-N
XLogP38.35
TPSA77.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001951.95
LogP ≤ 538.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole with MolForge

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Related Compounds

Indimicin B
CID 86342739
Indimicin A
CID 86342557
Indimicin C
CID 86342740
Indimicin D
CID 86342741
3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
CID 127035942
3-[[5-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
CID 127036137
3-(5-chloro-1H-indol-3-yl)-2-(5-fluoro-1H-indol-3-yl)-4-(1H-indol-4-yl)-1-methylindole
CID 141368888
2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole
CID 158236932
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole
CID 159501951
1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine;1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-(4-methylphenyl)methanamine
CID 161480055
2-(4-Chlorophenyl)-1-ethyl-5-methylindole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;1-ethyl-2-(4-fluorophenyl)-5-methylindole;1-ethyl-3-(4-fluorophenyl)-5-methylindole;1-ethyl-5-methyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-1,5-dimethylindole
CID 161507354
5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole
CID 139229716

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole?
The IUPAC name of 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole (CID 160773254) is 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole.
What is the SMILES notation for 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole?
The canonical SMILES for 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole is CC(C)(C)c1cc2cc(Cl)c(C(C)(C)C)cc2[nH]1.CC(C)(C)c1ccc2c(Cl)c(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2c(c1)CCN2C(C)(C)C.CC(C)(C)c1ccc2c(c1)N(C(C)(C)C)CC2.CC(C)(C)c1ccc2ccn(C(C)(C)C)c2c1.CN1c2cc(C(C)(C)C)ccc2CC1C(C)(C)C.Cc1c(C(C)(C)C)[nH]c2cc(C(C)(C)C)ccc12.Cc1c(C(C)(C)C)[nH]c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole?
The InChIKey is RZPHSSSDHNVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.2C17H25N.2C16H22ClN.2C16H25N.C16H23N/c1-16(2,3)13-9-8-12-10-15(17(4,5)6)18(7)14(12)11-13;1-11-13-10-12(16(2,3)4)8-9-14(13)18-15(11)17(5,6)7;1-11-13-9-8-12(16(2,3)4)10-14(13)18-15(11)17(5,6)7;1-15(2,3)11-9-13-10(7-12(11)17)8-14(18-13)16(4,5)6;1-15(2,3)10-7-8-11-12(9-10)18-14(13(11)17)16(4,5)6;1-15(2,3)13-7-8-14-12(11-13)9-10-17(14)16(4,5)6;2*1-15(2,3)13-8-7-12-9-10-17(14(12)11-13)16(4,5)6/h8-9,11,15H,10H2,1-7H3;2*8-10,18H,1-7H3;2*7-9,18H,1-6H3;2*7-8,11H,9-10H2,1-6H3;7-11H,1-6H3.
What are the key properties of 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole?
2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole has a molecular weight of 1951.95 g/mol, XLogP of 38.35, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole is sourced from PubChem (CID 160773254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).