[1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate

C52H48N2O16 — CID 134164515

About [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate

[1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate (PubChem CID 134164515) has the molecular formula C52H48N2O16 and a molecular weight of 956.95 g/mol. Its IUPAC name is [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate.

Molecular Properties

• Compound Name: [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate
• PubChem CID: 134164515
• Molecular Formula: C52H48N2O16
• Molecular Weight: 956.95 g/mol
• Exact Mass: 956.30
• IUPAC Name: [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate
• SMILES: CC(OC(=O)c1ccc2ccccc2c1)C(=O)OC(C)C(=O)OC(C)C(=O)OCc1ccnc(-c2cc(COC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)c3ccc4ccccc4c3)ccn2)c1
• InChI: InChI=1S/C52H48N2O16/c1-29(65-47(57)31(3)67-49(59)33(5)69-51(61)41-17-15-37-11-7-9-13-39(37)25-41)45(55)63-27-35-19-21-53-43(23-35)44-24-36(20-22-54-44)28-64-46(56)30(2)66-48(58)32(4)68-50(60)34(6)70-52(62)42-18-16-38-12-8-10-14-40(38)26-42/h7-26,29-34H,27-28H2,1-6H3
• InChIKey: CTRJFWZMVAPHIP-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 236.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	956.95
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate?

The IUPAC name of [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate (CID 134164515) is [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate.

What is the SMILES notation for [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate?

The canonical SMILES for [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate is CC(OC(=O)c1ccc2ccccc2c1)C(=O)OC(C)C(=O)OC(C)C(=O)OCc1ccnc(-c2cc(COC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)c3ccc4ccccc4c3)ccn2)c1.

What is the InChIKey of [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate?

The InChIKey is CTRJFWZMVAPHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2O16/c1-29(65-47(57)31(3)67-49(59)33(5)69-51(61)41-17-15-37-11-7-9-13-39(37)25-41)45(55)63-27-35-19-21-53-43(23-35)44-24-36(20-22-54-44)28-64-46(56)30(2)66-48(58)32(4)68-50(60)34(6)70-52(62)42-18-16-38-12-8-10-14-40(38)26-42/h7-26,29-34H,27-28H2,1-6H3.

What are the key properties of [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate?

[1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate has a molecular weight of 956.95 g/mol, XLogP of 6.75, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1-[1-[[2-[4-[2-[2-[2-(naphthalene-2-carbonyloxy)propanoyloxy]propanoyloxy]propanoyloxymethyl]-2-pyridinyl]-4-pyridinyl]methoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] naphthalene-2-carboxylate is sourced from PubChem (CID 134164515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).