1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane

C40H38I2O7 — CID 163516213

About 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane

1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane (PubChem CID 163516213) has the molecular formula C40H38I2O7 and a molecular weight of 884.55 g/mol. Its IUPAC name is 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane.

Molecular Properties

• Compound Name: 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane
• PubChem CID: 163516213
• Molecular Formula: C40H38I2O7
• Molecular Weight: 884.55 g/mol
• Exact Mass: 884.07
• IUPAC Name: 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane
• SMILES: COC.COc1ccc(OC)cc1.COc1ccc2ccc(OC)c(C3c4cc(I)cc(I)c4Oc4ccc5ccc(OC)cc5c43)c2c1
• InChI: InChI=1S/C30H22I2O4.C8H10O2.C2H6O/c1-33-19-8-4-16-6-10-25(35-3)27(21(16)14-19)29-23-12-18(31)13-24(32)30(23)36-26-11-7-17-5-9-20(34-2)15-22(17)28(26)29;1-9-7-3-5-8(10-2)6-4-7;1-3-2/h4-15,29H,1-3H3;3-6H,1-2H3;1-2H3
• InChIKey: DGZAZASUZJTGLI-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.55
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane?

The IUPAC name of 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane (CID 163516213) is 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane.

What is the SMILES notation for 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane?

The canonical SMILES for 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane is COC.COc1ccc(OC)cc1.COc1ccc2ccc(OC)c(C3c4cc(I)cc(I)c4Oc4ccc5ccc(OC)cc5c43)c2c1.

What is the InChIKey of 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane?

The InChIKey is DGZAZASUZJTGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22I2O4.C8H10O2.C2H6O/c1-33-19-8-4-16-6-10-25(35-3)27(21(16)14-19)29-23-12-18(31)13-24(32)30(23)36-26-11-7-17-5-9-20(34-2)15-22(17)28(26)29;1-9-7-3-5-8(10-2)6-4-7;1-3-2/h4-15,29H,1-3H3;3-6H,1-2H3;1-2H3.

What are the key properties of 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane?

1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane has a molecular weight of 884.55 g/mol, XLogP of 10.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane is sourced from PubChem (CID 163516213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).