6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one

C24H19NO4 — CID 163098872

IUPAC6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCC1(C)C=Cc2c(c(-c3ccccc3)c(O)c3c(=O)c4cccc(O)c4[nH]c23)O1
InChIInChI=1S/C24H19NO4/c1-24(2)12-11-15-20-18(21(27)14-9-6-10-16(26)19(14)25-20)22(28)17(23(15)29-24)13-7-4-3-5-8-13/h3-12,26,28H,1-2H3,(H,25,27)
InChIKeyOKQCZZWIGHSNHJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.94
Rot. Bonds1

About 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one

6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one (PubChem CID 163098872) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one
PubChem CID163098872
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCC1(C)C=Cc2c(c(-c3ccccc3)c(O)c3c(=O)c4cccc(O)c4[nH]c23)O1
InChIInChI=1S/C24H19NO4/c1-24(2)12-11-15-20-18(21(27)14-9-6-10-16(26)19(14)25-20)22(28)17(23(15)29-24)13-7-4-3-5-8-13/h3-12,26,28H,1-2H3,(H,25,27)
InChIKeyOKQCZZWIGHSNHJ-UHFFFAOYSA-N
XLogP4.94
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-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

6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 5479541
4,8-dihydroxy-3-phenyl-1H-quinolin-2-one
CID 110272879
2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
CID 162658070
6,11-dihydroxy-3,3-dimethyl-2,12-dihydropyrano[2,3-c]acridine-1,7-dione
CID 101243979
3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 162837479
2,2,5,6-tetramethylbenzo[h]chromene
CID 21339666
(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 102434194
2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran
CID 21339668
5-bromo-4,4,10,10-tetramethyl-3,9-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),8(13),11,14,16-hexaene
CID 91144984
2,2,7-trimethylpyrano[3,2-c]chromen-5-one
CID 13045727
6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene
CID 22970322
4-hydroxy-8-methyl-3-phenyl-1H-quinolin-2-one
CID 54705757

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one?
The IUPAC name of 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one (CID 163098872) is 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one?
The canonical SMILES for 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one is CC1(C)C=Cc2c(c(-c3ccccc3)c(O)c3c(=O)c4cccc(O)c4[nH]c23)O1.
What is the InChIKey of 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one?
The InChIKey is OKQCZZWIGHSNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-24(2)12-11-15-20-18(21(27)14-9-6-10-16(26)19(14)25-20)22(28)17(23(15)29-24)13-7-4-3-5-8-13/h3-12,26,28H,1-2H3,(H,25,27).
What are the key properties of 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one?
6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one has a molecular weight of 385.42 g/mol, XLogP of 4.94, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 163098872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).