6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one

C24H26N2O2 — CID 135581724

IUPAC6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one
SMILESCC(C)(C)c1ccc2c(c1)N=C(c1[nH]c3cc(C(C)(C)C)ccc3c1O)C2=O
InChIInChI=1S/C24H26N2O2/c1-23(2,3)13-7-9-15-17(11-13)25-19(21(15)27)20-22(28)16-10-8-14(24(4,5)6)12-18(16)26-20/h7-12,25,27H,1-6H3
InChIKeyCJRLIWVMXYKHPZ-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.79
Rot. Bonds1

About 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one

6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one (PubChem CID 135581724) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one
PubChem CID135581724
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one
SMILESCC(C)(C)c1ccc2c(c1)N=C(c1[nH]c3cc(C(C)(C)C)ccc3c1O)C2=O
InChIInChI=1S/C24H26N2O2/c1-23(2,3)13-7-9-15-17(11-13)25-19(21(15)27)20-22(28)16-10-8-14(24(4,5)6)12-18(16)26-20/h7-12,25,27H,1-6H3
InChIKeyCJRLIWVMXYKHPZ-UHFFFAOYSA-N
XLogP5.79
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-6-sulfo-1H-indol-2-yl)-3-oxoindole-6-sulfonic acid
CID 136632797
2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one
CID 135404314
5-ethynyl-2-(5-ethynyl-3-hydroxy-1H-indol-2-yl)indol-3-one
CID 177407103
2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate
CID 4019563
2,7-ditert-butyl-9H-carbazole;hydrobromide
CID 175936620
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one
CID 165048647
7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
CID 145149607
2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one
CID 135878283
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one
CID 3843472
3-hydroxy-2-(3-oxo-5-sulfoindol-2-yl)-7-sulfanyl-1H-indole-5-sulfonic acid
CID 146368243
3,7-ditert-butyl-5H-pyrido[4,3-b]indole
CID 176800334

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one?
The IUPAC name of 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one (CID 135581724) is 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one.
What is the SMILES notation for 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one?
The canonical SMILES for 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one is CC(C)(C)c1ccc2c(c1)N=C(c1[nH]c3cc(C(C)(C)C)ccc3c1O)C2=O.
What is the InChIKey of 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one?
The InChIKey is CJRLIWVMXYKHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-23(2,3)13-7-9-15-17(11-13)25-19(21(15)27)20-22(28)16-10-8-14(24(4,5)6)12-18(16)26-20/h7-12,25,27H,1-6H3.
What are the key properties of 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one?
6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one has a molecular weight of 374.48 g/mol, XLogP of 5.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(6-tert-butyl-3-hydroxy-1H-indol-2-yl)indol-3-one is sourced from PubChem (CID 135581724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).