4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one

C30H23NO3 — CID 122392070

IUPAC4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one
SMILESCOc1cc(OC)c2c(c1)C1(NC(=O)c3ccccc31)C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C30H23NO3/c1-33-21-17-24-27(25(18-21)34-2)26(19-11-5-3-6-12-19)28(20-13-7-4-8-14-20)30(24)23-16-10-9-15-22(23)29(32)31-30/h3-18H,1-2H3,(H,31,32)
InChIKeyFNOUUHVYNUTYSU-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.66
Rot. Bonds4

About 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one

4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one (PubChem CID 122392070) has the molecular formula C30H23NO3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one.

Molecular Properties

Compound Name4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one
PubChem CID122392070
Molecular FormulaC30H23NO3
Molecular Weight445.52 g/mol
Exact Mass445.17
IUPAC Name4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one
SMILESCOc1cc(OC)c2c(c1)C1(NC(=O)c3ccccc31)C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C30H23NO3/c1-33-21-17-24-27(25(18-21)34-2)26(19-11-5-3-6-12-19)28(20-13-7-4-8-14-20)30(24)23-16-10-9-15-22(23)29(32)31-30/h3-18H,1-2H3,(H,31,32)
InChIKeyFNOUUHVYNUTYSU-UHFFFAOYSA-N
XLogP5.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-oxoisoindoline-4-carboxamide
CID 20855285
3-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 76335879
(3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one
CID 172465413
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-(3-methoxyphenyl)-2H-isoindol-1-one
CID 162410838
4-(3,5-Dimethoxyphenyl)-5-fluoroisoindole-1,3-dione
CID 139921370
2-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-N-[3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,5-dimethoxybenzamide
CID 140478438
4-fluoro-N-[1-[2-(3-methoxyphenyl)-3-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 140515151
N-[2,2-difluoro-1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 140515161
2-[(2,4-Dimethoxyphenyl)-[2-ethyl-3,5,6-trifluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 141979566
2-Allyl-3-(2,4,6-trimethoxyphenyl)-1-isoindolinone
CID 57341433
5'-methoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 101877314
2-Allyl-3-(2,4-dimethoxyphenyl)-1-isoindolinone
CID 129840055

Frequently Asked Questions

What is the IUPAC name of 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one?
The IUPAC name of 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one (CID 122392070) is 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one.
What is the SMILES notation for 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one?
The canonical SMILES for 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one is COc1cc(OC)c2c(c1)C1(NC(=O)c3ccccc31)C(c1ccccc1)=C2c1ccccc1.
What is the InChIKey of 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one?
The InChIKey is FNOUUHVYNUTYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO3/c1-33-21-17-24-27(25(18-21)34-2)26(19-11-5-3-6-12-19)28(20-13-7-4-8-14-20)30(24)23-16-10-9-15-22(23)29(32)31-30/h3-18H,1-2H3,(H,31,32).
What are the key properties of 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one?
4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one has a molecular weight of 445.52 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',6'-dimethoxy-2',3'-diphenylspiro[2H-isoindole-3,1'-indene]-1-one is sourced from PubChem (CID 122392070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).