1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione

C38H32N2O4 — CID 42632185

IUPAC1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(c3ccccc3)c3ccccc3)C23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C38H32N2O4/c1-39-33-17-11-10-16-32(33)38(36(39)42)37(28-18-22-30(43-2)23-19-28,29-20-24-31(44-3)25-21-29)35(41)40(38)34(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-25,34H,1-3H3
InChIKeyLWFCCFGKOVZPLF-UHFFFAOYSA-N
MW580.68 g/mol
LogP6.49
Rot. Bonds7

About 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione

1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione (PubChem CID 42632185) has the molecular formula C38H32N2O4 and a molecular weight of 580.68 g/mol. Its IUPAC name is 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione.

Molecular Properties

Compound Name1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione
PubChem CID42632185
Molecular FormulaC38H32N2O4
Molecular Weight580.68 g/mol
Exact Mass580.24
IUPAC Name1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(c3ccccc3)c3ccccc3)C23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C38H32N2O4/c1-39-33-17-11-10-16-32(33)38(36(39)42)37(28-18-22-30(43-2)23-19-28,29-20-24-31(44-3)25-21-29)35(41)40(38)34(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-25,34H,1-3H3
InChIKeyLWFCCFGKOVZPLF-UHFFFAOYSA-N
XLogP6.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.68
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione?
The IUPAC name of 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione (CID 42632185) is 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione.
What is the SMILES notation for 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione?
The canonical SMILES for 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione is COc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(c3ccccc3)c3ccccc3)C23C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione?
The InChIKey is LWFCCFGKOVZPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O4/c1-39-33-17-11-10-16-32(33)38(36(39)42)37(28-18-22-30(43-2)23-19-28,29-20-24-31(44-3)25-21-29)35(41)40(38)34(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-25,34H,1-3H3.
What are the key properties of 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione?
1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione has a molecular weight of 580.68 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione is sourced from PubChem (CID 42632185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).