1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one

C31H25NO3 — CID 46195281

IUPAC1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one
SMILESO=C1N(C(c2ccccc2)c2ccccc2)c2ccccc2C12CCOc1cc3c(cc12)CCO3
InChIInChI=1S/C31H25NO3/c33-30-31(16-18-35-28-20-27-23(15-17-34-27)19-25(28)31)24-13-7-8-14-26(24)32(30)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19-20,29H,15-18H2
InChIKeyVHZCGEKADVOYAC-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.83
Rot. Bonds3

About 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one

1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one (PubChem CID 46195281) has the molecular formula C31H25NO3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one
PubChem CID46195281
Molecular FormulaC31H25NO3
Molecular Weight459.55 g/mol
Exact Mass459.18
IUPAC Name1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one
SMILESO=C1N(C(c2ccccc2)c2ccccc2)c2ccccc2C12CCOc1cc3c(cc12)CCO3
InChIInChI=1S/C31H25NO3/c33-30-31(16-18-35-28-20-27-23(15-17-34-27)19-25(28)31)24-13-7-8-14-26(24)32(30)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19-20,29H,15-18H2
InChIKeyVHZCGEKADVOYAC-UHFFFAOYSA-N
XLogP5.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-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

Related Compounds

2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one
CID 46195425
1'-benzhydrylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 46832690
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352498
1'-benzhydryl-7-fluorospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 71008011
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352151
2-[3-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)propyl]isoindole-1,3-dione
CID 59352544
3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide
CID 59352124
1'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352407
(3S)-1-benzhydryl-3-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(hydroxymethyl)indol-2-one
CID 86699464
2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263434
1-benzhydryl-4-fluoro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-7-methylindol-2-one
CID 68596899

Frequently Asked Questions

What is the IUPAC name of 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one?
The IUPAC name of 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one (CID 46195281) is 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one.
What is the SMILES notation for 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one?
The canonical SMILES for 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one is O=C1N(C(c2ccccc2)c2ccccc2)c2ccccc2C12CCOc1cc3c(cc12)CCO3.
What is the InChIKey of 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one?
The InChIKey is VHZCGEKADVOYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO3/c33-30-31(16-18-35-28-20-27-23(15-17-34-27)19-25(28)31)24-13-7-8-14-26(24)32(30)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19-20,29H,15-18H2.
What are the key properties of 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one?
1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one has a molecular weight of 459.55 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzhydrylspiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one is sourced from PubChem (CID 46195281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).