methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate

C32H22O6 — CID 4639370

IUPACmethyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2C1c2ccccc2C(=O)c2cc(C(=O)OC)ccc21
InChIInChI=1S/C32H22O6/c1-37-31(35)17-11-13-21-25(15-17)29(33)23-9-5-3-7-19(23)27(21)28-20-8-4-6-10-24(20)30(34)26-16-18(32(36)38-2)12-14-22(26)28/h3-16,27-28H,1-2H3
InChIKeyNNLQZKUDWGCSAS-UHFFFAOYSA-N
MW502.52 g/mol
LogP5.31
Rot. Bonds3

About methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate

methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate (PubChem CID 4639370) has the molecular formula C32H22O6 and a molecular weight of 502.52 g/mol. Its IUPAC name is methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate.

Molecular Properties

Compound Namemethyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate
PubChem CID4639370
Molecular FormulaC32H22O6
Molecular Weight502.52 g/mol
Exact Mass502.14
IUPAC Namemethyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2C1c2ccccc2C(=O)c2cc(C(=O)OC)ccc21
InChIInChI=1S/C32H22O6/c1-37-31(35)17-11-13-21-25(15-17)29(33)23-9-5-3-7-19(23)27(21)28-20-8-4-6-10-24(20)30(34)26-16-18(32(36)38-2)12-14-22(26)28/h3-16,27-28H,1-2H3
InChIKeyNNLQZKUDWGCSAS-UHFFFAOYSA-N
XLogP5.31
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate 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

methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate
CID 169197506
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 4-hydroxy-9,10-dioxoanthracene-2-carboxylate
CID 10902055
methyl 4-[(10-oxoanthracen-9-ylidene)methyl]benzoate
CID 23827804
trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoate
CID 1217339
dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
CID 138453798

Frequently Asked Questions

What is the IUPAC name of methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate?
The IUPAC name of methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate (CID 4639370) is methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate.
What is the SMILES notation for methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate?
The canonical SMILES for methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate is COC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2C1c2ccccc2C(=O)c2cc(C(=O)OC)ccc21.
What is the InChIKey of methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate?
The InChIKey is NNLQZKUDWGCSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O6/c1-37-31(35)17-11-13-21-25(15-17)29(33)23-9-5-3-7-19(23)27(21)28-20-8-4-6-10-24(20)30(34)26-16-18(32(36)38-2)12-14-22(26)28/h3-16,27-28H,1-2H3.
What are the key properties of methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate?
methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate has a molecular weight of 502.52 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate is sourced from PubChem (CID 4639370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).