1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine

C159H199N9O16 — CID 158165879

About 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine

1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine (PubChem CID 158165879) has the molecular formula C159H199N9O16 and a molecular weight of 2492.39 g/mol. Its IUPAC name is 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine.

Molecular Properties

• Compound Name: 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine
• PubChem CID: 158165879
• Molecular Formula: C159H199N9O16
• Molecular Weight: 2492.39 g/mol
• Exact Mass: 2490.50
• IUPAC Name: 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)CC2(CC(C)(C)c3cc(Oc4ccccn4)c(Oc4ccccn4)cc32)c2cc(Oc3ccccn3)c(Oc3ccccn3)cc21.COC(=O)c1cccc(C(=O)OC)c1.COCCOC.COCc1cccc(COC)c1.COc1cc2c(cc1OC)C1(CC2(C)C)CC(C)(C)c2cc(OC)c(OC)cc21.c1ccc(-c2cccc(-c3cccnc3)c2)cc1.c1ccc(-c2cccnc2)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)c1
• InChI: InChI=1S/C41H36N4O4.C25H32O4.C21H15N3.C17H13N.C11H9N.C10H10O4.C10H14O2.C4H10O2.10C2H6/c1-39(2)25-41(29-23-33(48-37-15-7-11-19-44-37)31(21-27(29)39)46-35-13-5-9-17-42-35)26-40(3,4)28-22-32(47-36-14-6-10-18-43-36)34(24-30(28)41)49-38-16-8-12-20-45-38;1-23(2)13-25(17-11-21(28-7)19(26-5)9-15(17)23)14-24(3,4)16-10-20(27-6)22(29-8)12-18(16)25;1-4-16(13-22-7-1)19-10-20(17-5-2-8-23-14-17)12-21(11-19)18-6-3-9-24-15-18;1-2-6-14(7-3-1)15-8-4-9-16(12-15)17-10-5-11-18-13-17;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;1-11-7-9-4-3-5-10(6-9)8-12-2;1-5-3-4-6-2;10*1-2/h5-24H,25-26H2,1-4H3;9-12H,13-14H2,1-8H3;1-15H;1-13H;1-9H;3-6H,1-2H3;3-6H,7-8H2,1-2H3;3-4H2,1-2H3;10*1-2H3
• InChIKey: FWVJEQSXNYXKCJ-UHFFFAOYSA-N
• XLogP: 41.27
• TPSA: 279.37 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.39
LogP ≤ 5	41.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine?

The IUPAC name of 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine (CID 158165879) is 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine.

What is the SMILES notation for 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine?

The canonical SMILES for 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)CC2(CC(C)(C)c3cc(Oc4ccccn4)c(Oc4ccccn4)cc32)c2cc(Oc3ccccn3)c(Oc3ccccn3)cc21.COC(=O)c1cccc(C(=O)OC)c1.COCCOC.COCc1cccc(COC)c1.COc1cc2c(cc1OC)C1(CC2(C)C)CC(C)(C)c2cc(OC)c(OC)cc21.c1ccc(-c2cccc(-c3cccnc3)c2)cc1.c1ccc(-c2cccnc2)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)c1.

What is the InChIKey of 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine?

The InChIKey is FWVJEQSXNYXKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N4O4.C25H32O4.C21H15N3.C17H13N.C11H9N.C10H10O4.C10H14O2.C4H10O2.10C2H6/c1-39(2)25-41(29-23-33(48-37-15-7-11-19-44-37)31(21-27(29)39)46-35-13-5-9-17-42-35)26-40(3,4)28-22-32(47-36-14-6-10-18-43-36)34(24-30(28)41)49-38-16-8-12-20-45-38;1-23(2)13-25(17-11-21(28-7)19(26-5)9-15(17)23)14-24(3,4)16-10-20(27-6)22(29-8)12-18(16)25;1-4-16(13-22-7-1)19-10-20(17-5-2-8-23-14-17)12-21(11-19)18-6-3-9-24-15-18;1-2-6-14(7-3-1)15-8-4-9-16(12-15)17-10-5-11-18-13-17;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;1-11-7-9-4-3-5-10(6-9)8-12-2;1-5-3-4-6-2;10*1-2/h5-24H,25-26H2,1-4H3;9-12H,13-14H2,1-8H3;1-15H;1-13H;1-9H;3-6H,1-2H3;3-6H,7-8H2,1-2H3;3-4H2,1-2H3;10*1-2H3.

What are the key properties of 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine?

1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine has a molecular weight of 2492.39 g/mol, XLogP of 41.27, 27 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane;dimethyl benzene-1,3-dicarboxylate;3-(3,5-dipyridin-3-ylphenyl)pyridine;ethane;3-(3-phenylphenyl)pyridine;3-phenylpyridine;5,5',6,6'-tetramethoxy-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene];2-[(1,1,1',1'-tetramethyl-5',6,6'-tripyridin-2-yloxy-3,3'-spirobi[2H-indene]-5-yl)oxy]pyridine is sourced from PubChem (CID 158165879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).