methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium

C64H95N7O17P2Si2 — CID 157467231

About methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium

methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium (PubChem CID 157467231) has the molecular formula C64H95N7O17P2Si2 and a molecular weight of 1352.62 g/mol. Its IUPAC name is methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium.

Molecular Properties

• Compound Name: methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium
• PubChem CID: 157467231
• Molecular Formula: C64H95N7O17P2Si2
• Molecular Weight: 1352.62 g/mol
• Exact Mass: 1351.58
• IUPAC Name: methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium
• SMILES: C.C.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)oc2ccccc12.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)([O-])O)oc2ccccc12.OCC[NH+](CCO)CCO
• InChI: InChI=1S/C33H48N3O7PSi2.C23H24N3O7P.C6H15NO3.2CH4/c1-25-28-11-9-10-12-29(28)43-30(25)23-35(2)31(37)15-13-26-21-27-14-16-32(38)36(33(27)34-22-26)24-42-44(39,40-17-19-45(3,4)5)41-18-20-46(6,7)8;1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31;8-4-1-7(2-5-9)3-6-10;;/h9-13,15,21-22H,14,16-20,23-24H2,1-8H3;3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31);8-10H,1-6H2;2*1H4/b15-13+;9-7+
• InChIKey: BUPVIHCZYZZULU-HINQPTIOSA-N
• XLogP: 8.52
• TPSA: 312.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1352.62
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium?

The IUPAC name of methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium (CID 157467231) is methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium.

What is the SMILES notation for methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium?

The canonical SMILES for methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium is C.C.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)oc2ccccc12.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)([O-])O)oc2ccccc12.OCC[NH+](CCO)CCO.

What is the InChIKey of methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium?

The InChIKey is BUPVIHCZYZZULU-HINQPTIOSA-N. The full InChI is InChI=1S/C33H48N3O7PSi2.C23H24N3O7P.C6H15NO3.2CH4/c1-25-28-11-9-10-12-29(28)43-30(25)23-35(2)31(37)15-13-26-21-27-14-16-32(38)36(33(27)34-22-26)24-42-44(39,40-17-19-45(3,4)5)41-18-20-46(6,7)8;1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31;8-4-1-7(2-5-9)3-6-10;;/h9-13,15,21-22H,14,16-20,23-24H2,1-8H3;3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31);8-10H,1-6H2;2*1H4/b15-13+;9-7+;;;.

What are the key properties of methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium?

methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium has a molecular weight of 1352.62 g/mol, XLogP of 8.52, 28 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 157467231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).