1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one

C34H33NO3 — CID 123637195

IUPAC1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one
SMILESCC(C)Oc1ccc2c(c1)OC(C)(C)CC21C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C34H33NO3/c1-23(2)37-26-19-20-28-30(21-26)38-33(3,4)22-34(28)27-17-11-12-18-29(27)35(32(34)36)31(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-21,23,31H,22H2,1-4H3
InChIKeyBPZJKEYWSKQQHR-UHFFFAOYSA-N
MW503.64 g/mol
LogP7.46
Rot. Bonds5

About 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one

1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one (PubChem CID 123637195) has the molecular formula C34H33NO3 and a molecular weight of 503.64 g/mol. Its IUPAC name is 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one
PubChem CID123637195
Molecular FormulaC34H33NO3
Molecular Weight503.64 g/mol
Exact Mass503.25
IUPAC Name1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one
SMILESCC(C)Oc1ccc2c(c1)OC(C)(C)CC21C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C34H33NO3/c1-23(2)37-26-19-20-28-30(21-26)38-33(3,4)22-34(28)27-17-11-12-18-29(27)35(32(34)36)31(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-21,23,31H,22H2,1-4H3
InChIKeyBPZJKEYWSKQQHR-UHFFFAOYSA-N
XLogP7.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.64
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one?
The IUPAC name of 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one (CID 123637195) is 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one.
What is the SMILES notation for 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one?
The canonical SMILES for 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one is CC(C)Oc1ccc2c(c1)OC(C)(C)CC21C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one?
The InChIKey is BPZJKEYWSKQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO3/c1-23(2)37-26-19-20-28-30(21-26)38-33(3,4)22-34(28)27-17-11-12-18-29(27)35(32(34)36)31(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-21,23,31H,22H2,1-4H3.
What are the key properties of 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one?
1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one has a molecular weight of 503.64 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one is sourced from PubChem (CID 123637195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).