tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol

C92H92N8O10 — CID 139191446

About tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol

tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol (PubChem CID 139191446) has the molecular formula C92H92N8O10 and a molecular weight of 1469.79 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol.

Molecular Properties

• Compound Name: tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol
• PubChem CID: 139191446
• Molecular Formula: C92H92N8O10
• Molecular Weight: 1469.79 g/mol
• Exact Mass: 1468.69
• IUPAC Name: tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol
• SMILES: CCO.CCO.Cn1cc([C@@]2([C@@]3(NC(=O)OC(C)(C)C)C(=O)N(Cc4ccccc4)c4ccccc43)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21.Cn1cc([C@]2([C@]3(NC(=O)OC(C)(C)C)C(=O)N(Cc4ccccc4)c4ccccc43)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21
• InChI: InChI=1S/2C44H40N4O4.2C2H6O/c2*1-42(2,3)52-41(51)45-44(34-23-13-16-26-38(34)48(40(44)50)28-31-19-9-6-10-20-31)43(35-29-46(4)36-24-14-11-21-32(35)36)33-22-12-15-25-37(33)47(39(43)49)27-30-17-7-5-8-18-30;2*1-2-3/h2*5-26,29H,27-28H2,1-4H3,(H,45,51);2*3H,2H2,1H3/t2*43-,44+;;/m10../s1
• InChIKey: RTUSGLXSBBOQJN-WCDFQZOBSA-N
• XLogP: 15.95
• TPSA: 208.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.79
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol?

The IUPAC name of tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol (CID 139191446) is tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol.

What is the SMILES notation for tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol?

The canonical SMILES for tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol is CCO.CCO.Cn1cc([C@@]2([C@@]3(NC(=O)OC(C)(C)C)C(=O)N(Cc4ccccc4)c4ccccc43)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21.Cn1cc([C@]2([C@]3(NC(=O)OC(C)(C)C)C(=O)N(Cc4ccccc4)c4ccccc43)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21.

What is the InChIKey of tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol?

The InChIKey is RTUSGLXSBBOQJN-WCDFQZOBSA-N. The full InChI is InChI=1S/2C44H40N4O4.2C2H6O/c2*1-42(2,3)52-41(51)45-44(34-23-13-16-26-38(34)48(40(44)50)28-31-19-9-6-10-20-31)43(35-29-46(4)36-24-14-11-21-32(35)36)33-22-12-15-25-37(33)47(39(43)49)27-30-17-7-5-8-18-30;2*1-2-3/h2*5-26,29H,27-28H2,1-4H3,(H,45,51);2*3H,2H2,1H3/t2*43-,44+;;/m10../s1.

What are the key properties of tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol?

tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol has a molecular weight of 1469.79 g/mol, XLogP of 15.95, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R)-1-benzyl-3-[(3R)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;tert-butyl N-[(3S)-1-benzyl-3-[(3S)-1-benzyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]-2-oxoindol-3-yl]carbamate;ethanol is sourced from PubChem (CID 139191446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).