7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one

C25H25NO4Si — CID 145429785

IUPAC7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one
SMILESCN(C)c1ccc2c(c1)[Si](C)(C)c1cc(O)c(CO)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C25H25NO4Si/c1-26(2)16-9-10-19-22(12-16)31(3,4)23-13-21(28)15(14-27)11-20(23)25(19)18-8-6-5-7-17(18)24(29)30-25/h5-13,27-28H,14H2,1-4H3
InChIKeyGGJZIANIOJDHLT-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.55
Rot. Bonds2

About 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one

7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one (PubChem CID 145429785) has the molecular formula C25H25NO4Si and a molecular weight of 431.56 g/mol. Its IUPAC name is 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one.

Molecular Properties

Compound Name7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one
PubChem CID145429785
Molecular FormulaC25H25NO4Si
Molecular Weight431.56 g/mol
Exact Mass431.16
IUPAC Name7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one
SMILESCN(C)c1ccc2c(c1)[Si](C)(C)c1cc(O)c(CO)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C25H25NO4Si/c1-26(2)16-9-10-19-22(12-16)31(3,4)23-13-21(28)15(14-27)11-20(23)25(19)18-8-6-5-7-17(18)24(29)30-25/h5-13,27-28H,14H2,1-4H3
InChIKeyGGJZIANIOJDHLT-UHFFFAOYSA-N
XLogP2.55
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7'-(dimethylamino)-2'-(fluoromethyl)-5',5'-dimethyl-3'-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one
CID 145429783
3',7'-bis(dimethylamino)-5',5'-dimethyl-1-oxospiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-5-carboxylic acid
CID 164517277
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
3',6'-dihydroxy-2',7'-dipropylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 69249791
3-[2,4-bis(dimethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 101140245
3-(4-chloro-2-hydroxy-5-methoxyphenyl)-3-[4-(dimethylamino)-2-methoxyphenyl]-2-benzofuran-1-one
CID 22292499
3',7'-bis(dimethylamino)-5',5'-dimethyl-1-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]spiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-5-carboxamide
CID 169494522
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
6'-(dimethylamino)-N,N-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-amine oxide
CID 126580660
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
CID 175533354
3-(3-chloro-2-hydroxy-5-methoxyphenyl)-3-[4-(dimethylamino)-2-methoxyphenyl]-2-benzofuran-1-one
CID 23502507

Frequently Asked Questions

What is the IUPAC name of 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one?
The IUPAC name of 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one (CID 145429785) is 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one.
What is the SMILES notation for 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one?
The canonical SMILES for 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one is CN(C)c1ccc2c(c1)[Si](C)(C)c1cc(O)c(CO)cc1C21OC(=O)c2ccccc21.
What is the InChIKey of 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one?
The InChIKey is GGJZIANIOJDHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4Si/c1-26(2)16-9-10-19-22(12-16)31(3,4)23-13-21(28)15(14-27)11-20(23)25(19)18-8-6-5-7-17(18)24(29)30-25/h5-13,27-28H,14H2,1-4H3.
What are the key properties of 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one?
7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one has a molecular weight of 431.56 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(dimethylamino)-3'-hydroxy-2'-(hydroxymethyl)-5',5'-dimethylspiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-1-one is sourced from PubChem (CID 145429785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).