methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate

C50H38Cl2N2O6 — CID 123835888

About methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate

methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate (PubChem CID 123835888) has the molecular formula C50H38Cl2N2O6 and a molecular weight of 833.77 g/mol. Its IUPAC name is methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate.

Molecular Properties

• Compound Name: methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate
• PubChem CID: 123835888
• Molecular Formula: C50H38Cl2N2O6
• Molecular Weight: 833.77 g/mol
• Exact Mass: 832.21
• IUPAC Name: methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate
• SMILES: COC(=O)c1cccc(CN2C(=O)C3(CC3c3ccc(Cl)cc3)c3cc(COC(=O)c4cccc(CN5C(=O)C6(CC6c6ccc(Cl)cc6)c6ccccc65)c4)ccc32)c1
• InChI: InChI=1S/C50H38Cl2N2O6/c1-59-45(55)35-8-4-6-30(22-35)28-54-44-21-12-32(24-40(44)50(48(54)58)26-42(50)34-15-19-38(52)20-16-34)29-60-46(56)36-9-5-7-31(23-36)27-53-43-11-3-2-10-39(43)49(47(53)57)25-41(49)33-13-17-37(51)18-14-33/h2-24,41-42H,25-29H2,1H3
• InChIKey: ODDKUBDZVDLHII-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 93.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.77
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate?

The IUPAC name of methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate (CID 123835888) is methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate.

What is the SMILES notation for methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate?

The canonical SMILES for methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate is COC(=O)c1cccc(CN2C(=O)C3(CC3c3ccc(Cl)cc3)c3cc(COC(=O)c4cccc(CN5C(=O)C6(CC6c6ccc(Cl)cc6)c6ccccc65)c4)ccc32)c1.

What is the InChIKey of methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate?

The InChIKey is ODDKUBDZVDLHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38Cl2N2O6/c1-59-45(55)35-8-4-6-30(22-35)28-54-44-21-12-32(24-40(44)50(48(54)58)26-42(50)34-15-19-38(52)20-16-34)29-60-46(56)36-9-5-7-31(23-36)27-53-43-11-3-2-10-39(43)49(47(53)57)25-41(49)33-13-17-37(51)18-14-33/h2-24,41-42H,25-29H2,1H3.

What are the key properties of methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate?

methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate has a molecular weight of 833.77 g/mol, XLogP of 10.08, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[2-(4-chlorophenyl)-5'-[[3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoyl]oxymethyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoate is sourced from PubChem (CID 123835888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).