(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate

C32H28NO8P — CID 21043522

IUPAC(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate
SMILESCOP(=O)(OC)Oc1ccc2nc3ccccc3c(C(=O)Oc3c(C)cc(C(=O)OCc4ccccc4)cc3C)c2c1
InChIInChI=1S/C32H28NO8P/c1-20-16-23(31(34)39-19-22-10-6-5-7-11-22)17-21(2)30(20)40-32(35)29-25-12-8-9-13-27(25)33-28-15-14-24(18-26(28)29)41-42(36,37-3)38-4/h5-18H,19H2,1-4H3
InChIKeyIVEVJIVEKLFZGS-UHFFFAOYSA-N
MW585.55 g/mol
LogP7.36
Rot. Bonds9

About (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate

(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate (PubChem CID 21043522) has the molecular formula C32H28NO8P and a molecular weight of 585.55 g/mol. Its IUPAC name is (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate.

Molecular Properties

Compound Name(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate
PubChem CID21043522
Molecular FormulaC32H28NO8P
Molecular Weight585.55 g/mol
Exact Mass585.16
IUPAC Name(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate
SMILESCOP(=O)(OC)Oc1ccc2nc3ccccc3c(C(=O)Oc3c(C)cc(C(=O)OCc4ccccc4)cc3C)c2c1
InChIInChI=1S/C32H28NO8P/c1-20-16-23(31(34)39-19-22-10-6-5-7-11-22)17-21(2)30(20)40-32(35)29-25-12-8-9-13-27(25)33-28-15-14-24(18-26(28)29)41-42(36,37-3)38-4/h5-18H,19H2,1-4H3
InChIKeyIVEVJIVEKLFZGS-UHFFFAOYSA-N
XLogP7.36
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.55
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-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

(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-ethoxybenzo[b]acridine-12-carboxylate
CID 21459665
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(Z)-1-bis(phenylmethoxy)phosphoryloxy-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate
CID 58704028
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 10-methylacridin-10-ium-9-carboxylate
CID 14855202
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(1,3-dioxoisoindol-2-yl)methyl]acridine-9-carboxylate
CID 22114777
(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate
CID 88878421
(4-butoxycarbonyl-2,6-dimethylphenyl) 4-methoxyacridine-9-carboxylate
CID 89316556
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
(4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate
CID 89316585
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 1,1-dimethylbenzo[e]indole-2-carboxylate
CID 11619895
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate?
The IUPAC name of (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate (CID 21043522) is (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate.
What is the SMILES notation for (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate?
The canonical SMILES for (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate is COP(=O)(OC)Oc1ccc2nc3ccccc3c(C(=O)Oc3c(C)cc(C(=O)OCc4ccccc4)cc3C)c2c1.
What is the InChIKey of (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate?
The InChIKey is IVEVJIVEKLFZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28NO8P/c1-20-16-23(31(34)39-19-22-10-6-5-7-11-22)17-21(2)30(20)40-32(35)29-25-12-8-9-13-27(25)33-28-15-14-24(18-26(28)29)41-42(36,37-3)38-4/h5-18H,19H2,1-4H3.
What are the key properties of (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate?
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate has a molecular weight of 585.55 g/mol, XLogP of 7.36, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate is sourced from PubChem (CID 21043522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).