6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one

C26H33N3O2 — CID 154137607

IUPAC6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one
SMILESCN(C)c1ccc2c(c1)C(=O)OC2(C1(N(C)C)C=CC=CC1)C1(N(C)C)C=CC=CC1
InChIInChI=1S/C26H33N3O2/c1-27(2)20-13-14-22-21(19-20)23(30)31-26(22,24(28(3)4)15-9-7-10-16-24)25(29(5)6)17-11-8-12-18-25/h7-15,17,19H,16,18H2,1-6H3
InChIKeySZHWJOYOAUKPIU-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.75
Rot. Bonds5

About 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one

6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one (PubChem CID 154137607) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one
PubChem CID154137607
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one
SMILESCN(C)c1ccc2c(c1)C(=O)OC2(C1(N(C)C)C=CC=CC1)C1(N(C)C)C=CC=CC1
InChIInChI=1S/C26H33N3O2/c1-27(2)20-13-14-22-21(19-20)23(30)31-26(22,24(28(3)4)15-9-7-10-16-24)25(29(5)6)17-11-8-12-18-25/h7-15,17,19H,16,18H2,1-6H3
InChIKeySZHWJOYOAUKPIU-UHFFFAOYSA-N
XLogP3.75
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one with MolForge

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Related Compounds

6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
CID 20731315
3',6'-bis(dimethylamino)-6-(2-methylpropanoyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 126730967
3',6'-bis(dimethylamino)-6-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 134168396
3,3-bis(4-anilinophenyl)-6-(dimethylamino)-2-benzofuran-1-one
CID 154100598
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(3-methyl-1H-pyrrol-2-yl)-2-benzofuran-1-one
CID 19098059
3-[2,4-bis(dimethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 101140245
3,3-bis[2,2-bis(4-piperidin-1-ylphenyl)ethenyl]-6-(dimethylamino)-2-benzofuran-1-one
CID 21299075
6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one
CID 20731327
6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one
CID 122615141
3,3-bis[4-(dimethylamino)phenyl]-6-dimethylarsanyl-2-benzofuran-1-one
CID 87968651
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(3-sulfanylphenoxy)-2-benzofuran-1-one
CID 54229446

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one?
The IUPAC name of 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one (CID 154137607) is 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one.
What is the SMILES notation for 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one?
The canonical SMILES for 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one is CN(C)c1ccc2c(c1)C(=O)OC2(C1(N(C)C)C=CC=CC1)C1(N(C)C)C=CC=CC1.
What is the InChIKey of 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one?
The InChIKey is SZHWJOYOAUKPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-27(2)20-13-14-22-21(19-20)23(30)31-26(22,24(28(3)4)15-9-7-10-16-24)25(29(5)6)17-11-8-12-18-25/h7-15,17,19H,16,18H2,1-6H3.
What are the key properties of 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one?
6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one has a molecular weight of 419.57 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one is sourced from PubChem (CID 154137607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).