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

C145H213Cl2N9O — CID 159561672

IUPAC2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;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)C(=O)N(C(C)(C)C)C2.CC(C)(C)c1ccc2c(c1)CN(C(C)(C)C)C2.CC(C)(C)c1ccc2c(c1)N(C(C)(C)C)CC2.CC(C)(C)c1ccc2c(c1)NC(C(C)(C)C)C2.CC(C)(C)c1ccc2cc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2ccn(C(C)(C)C)c2c1.Cc1c(C(C)(C)C)[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C17H25N.2C16H22ClN.C16H23NO.2C16H25N.C16H23N.C16H25N.C16H23N/c1-11-13-9-8-12(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)12-8-7-11-10-17(16(4,5)6)14(18)13(11)9-12;1-15(2,3)14-8-7-12-10-17(16(4,5)6)11-13(12)9-14;2*1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;2*1-15(2,3)13-8-7-12-9-10-17(14(12)11-13)16(4,5)6/h8-10,18H,1-7H3;2*7-9,18H,1-6H3;7-9H,10H2,1-6H3;7-9H,10-11H2,1-6H3;7-8,10,14,17H,9H2,1-6H3;7-10,17H,1-6H3;7-8,11H,9-10H2,1-6H3;7-11H,1-6H3
InChIKeyMGRVIRWPKMWKIX-UHFFFAOYSA-N
MW2169.27 g/mol
LogP41.71
Rot. Bonds

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

2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;2,6-ditert-butyl-3-methyl-1H-indole (PubChem CID 159561672) has the molecular formula C145H213Cl2N9O and a molecular weight of 2169.27 g/mol. Its IUPAC name is 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;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;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;2,6-ditert-butyl-3-methyl-1H-indole
PubChem CID159561672
Molecular FormulaC145H213Cl2N9O
Molecular Weight2169.27 g/mol
Exact Mass2166.63
IUPAC Name2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;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)C(=O)N(C(C)(C)C)C2.CC(C)(C)c1ccc2c(c1)CN(C(C)(C)C)C2.CC(C)(C)c1ccc2c(c1)N(C(C)(C)C)CC2.CC(C)(C)c1ccc2c(c1)NC(C(C)(C)C)C2.CC(C)(C)c1ccc2cc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2ccn(C(C)(C)C)c2c1.Cc1c(C(C)(C)C)[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C17H25N.2C16H22ClN.C16H23NO.2C16H25N.C16H23N.C16H25N.C16H23N/c1-11-13-9-8-12(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)12-8-7-11-10-17(16(4,5)6)14(18)13(11)9-12;1-15(2,3)14-8-7-12-10-17(16(4,5)6)11-13(12)9-14;2*1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;2*1-15(2,3)13-8-7-12-9-10-17(14(12)11-13)16(4,5)6/h8-10,18H,1-7H3;2*7-9,18H,1-6H3;7-9H,10H2,1-6H3;7-9H,10-11H2,1-6H3;7-8,10,14,17H,9H2,1-6H3;7-10,17H,1-6H3;7-8,11H,9-10H2,1-6H3;7-11H,1-6H3
InChIKeyMGRVIRWPKMWKIX-UHFFFAOYSA-N
XLogP41.71
TPSA106.91 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002169.27
LogP ≤ 541.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

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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;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;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;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;2,6-ditert-butyl-3-methyl-1H-indole (CID 159561672) is 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;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;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;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;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;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)C(=O)N(C(C)(C)C)C2.CC(C)(C)c1ccc2c(c1)CN(C(C)(C)C)C2.CC(C)(C)c1ccc2c(c1)N(C(C)(C)C)CC2.CC(C)(C)c1ccc2c(c1)NC(C(C)(C)C)C2.CC(C)(C)c1ccc2cc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2ccn(C(C)(C)C)c2c1.Cc1c(C(C)(C)C)[nH]c2cc(C(C)(C)C)ccc12.
What is the InChIKey of 2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;2,6-ditert-butyl-3-methyl-1H-indole?
The InChIKey is MGRVIRWPKMWKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N.2C16H22ClN.C16H23NO.2C16H25N.C16H23N.C16H25N.C16H23N/c1-11-13-9-8-12(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)12-8-7-11-10-17(16(4,5)6)14(18)13(11)9-12;1-15(2,3)14-8-7-12-10-17(16(4,5)6)11-13(12)9-14;2*1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;2*1-15(2,3)13-8-7-12-9-10-17(14(12)11-13)16(4,5)6/h8-10,18H,1-7H3;2*7-9,18H,1-6H3;7-9H,10H2,1-6H3;7-9H,10-11H2,1-6H3;7-8,10,14,17H,9H2,1-6H3;7-10,17H,1-6H3;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;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;2,6-ditert-butyl-3-methyl-1H-indole?
2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;2,6-ditert-butyl-3-methyl-1H-indole has a molecular weight of 2169.27 g/mol, XLogP of 41.71, 0 rotatable bonds, 5 hydrogen bond donors, and 5 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;1,6-ditert-butyl-2,3-dihydroindole;2,6-ditert-butyl-2,3-dihydro-1H-indole;2,5-ditert-butyl-1,3-dihydroisoindole;1,6-ditert-butylindole;2,6-ditert-butyl-1H-indole;2,6-ditert-butyl-3H-isoindol-1-one;2,6-ditert-butyl-3-methyl-1H-indole is sourced from PubChem (CID 159561672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).