9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one

C38H22O4 — CID 153408196

IUPAC9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one
SMILESO=C(c1cc(-c2ccc3ccccc3c2)c2oc3c(ccc4ccccc43)c(=O)c2c1)c1ccc2ccccc2c1O
InChIInChI=1S/C38H22O4/c39-34(30-17-15-23-8-3-5-11-28(23)35(30)40)27-20-32(26-14-13-22-7-1-2-10-25(22)19-26)38-33(21-27)36(41)31-18-16-24-9-4-6-12-29(24)37(31)42-38/h1-21,40H
InChIKeyTXDKGDYTKINUST-UHFFFAOYSA-N
MW542.59 g/mol
LogP9.01
Rot. Bonds3

About 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one

9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one (PubChem CID 153408196) has the molecular formula C38H22O4 and a molecular weight of 542.59 g/mol. Its IUPAC name is 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one.

Molecular Properties

Compound Name9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one
PubChem CID153408196
Molecular FormulaC38H22O4
Molecular Weight542.59 g/mol
Exact Mass542.15
IUPAC Name9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one
SMILESO=C(c1cc(-c2ccc3ccccc3c2)c2oc3c(ccc4ccccc43)c(=O)c2c1)c1ccc2ccccc2c1O
InChIInChI=1S/C38H22O4/c39-34(30-17-15-23-8-3-5-11-28(23)35(30)40)27-20-32(26-14-13-22-7-1-2-10-25(22)19-26)38-33(21-27)36(41)31-18-16-24-9-4-6-12-29(24)37(31)42-38/h1-21,40H
InChIKeyTXDKGDYTKINUST-UHFFFAOYSA-N
XLogP9.01
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.59
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-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

9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-1-ylbenzo[c]xanthen-7-one
CID 153408201
2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one
CID 153408199
10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 135183312
2-[4-(dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one
CID 161243392
3-hydroxy-2-naphthalen-2-ylchromen-4-one
CID 10085495
7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one
CID 86168453
2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170362703
7-fluoro-2-(2-hydroxy-5-methoxybenzoyl)-4-phenylxanthen-9-one
CID 153408180
N-(2-naphthalen-2-ylnaphthalen-1-yl)acetamide
CID 101477618
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 130188697

Frequently Asked Questions

What is the IUPAC name of 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one?
The IUPAC name of 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one (CID 153408196) is 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one.
What is the SMILES notation for 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one?
The canonical SMILES for 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one is O=C(c1cc(-c2ccc3ccccc3c2)c2oc3c(ccc4ccccc43)c(=O)c2c1)c1ccc2ccccc2c1O.
What is the InChIKey of 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one?
The InChIKey is TXDKGDYTKINUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O4/c39-34(30-17-15-23-8-3-5-11-28(23)35(30)40)27-20-32(26-14-13-22-7-1-2-10-25(22)19-26)38-33(21-27)36(41)31-18-16-24-9-4-6-12-29(24)37(31)42-38/h1-21,40H.
What are the key properties of 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one?
9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one has a molecular weight of 542.59 g/mol, XLogP of 9.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one is sourced from PubChem (CID 153408196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).