12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane

C103H92I2O15 — CID 163507999

IUPAC12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane
SMILESC.COC.COCC1CO1.COc1ccc2ccc(OC)c(C3c4cc(I)cc(I)c4Oc4ccc5ccc(OC)cc5c43)c2c1.COc1ccc2ccc(OC)c(C3c4ccc(-c5ccccc5)cc4Oc4ccc5ccc(OC)cc5c43)c2c1.COc1ccc2ccc(OC)c(C3c4ccccc4Oc4ccc5ccc(OC)cc5c43)c2c1
InChIInChI=1S/C36H28O4.C30H22I2O4.C30H24O4.C4H8O2.C2H6O.CH4/c1-37-26-14-9-23-12-17-31(39-3)34(29(23)20-26)36-28-16-11-25(22-7-5-4-6-8-22)19-33(28)40-32-18-13-24-10-15-27(38-2)21-30(24)35(32)36;1-33-19-8-4-16-6-10-25(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;1-31-20-12-8-18-10-14-26(33-3)28(23(18)16-20)30-22-6-4-5-7-25(22)34-27-15-11-19-9-13-21(32-2)17-24(19)29(27)30;1-5-2-4-3-6-4;1-3-2;/h4-21,36H,1-3H3;4-15,29H,1-3H3;4-17,30H,1-3H3;4H,2-3H2,1H3;1-2H3;1H4
InChIKeyDAEWOHYGMLHNQT-UHFFFAOYSA-N
MW1823.66 g/mol
LogP25.72
Rot. Bonds15

About 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane

12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane (PubChem CID 163507999) has the molecular formula C103H92I2O15 and a molecular weight of 1823.66 g/mol. Its IUPAC name is 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane.

Molecular Properties

Compound Name12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane
PubChem CID163507999
Molecular FormulaC103H92I2O15
Molecular Weight1823.66 g/mol
Exact Mass1822.45
IUPAC Name12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane
SMILESC.COC.COCC1CO1.COc1ccc2ccc(OC)c(C3c4cc(I)cc(I)c4Oc4ccc5ccc(OC)cc5c43)c2c1.COc1ccc2ccc(OC)c(C3c4ccc(-c5ccccc5)cc4Oc4ccc5ccc(OC)cc5c43)c2c1.COc1ccc2ccc(OC)c(C3c4ccccc4Oc4ccc5ccc(OC)cc5c43)c2c1
InChIInChI=1S/C36H28O4.C30H22I2O4.C30H24O4.C4H8O2.C2H6O.CH4/c1-37-26-14-9-23-12-17-31(39-3)34(29(23)20-26)36-28-16-11-25(22-7-5-4-6-8-22)19-33(28)40-32-18-13-24-10-15-27(38-2)21-30(24)35(32)36;1-33-19-8-4-16-6-10-25(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;1-31-20-12-8-18-10-14-26(33-3)28(23(18)16-20)30-22-6-4-5-7-25(22)34-27-15-11-19-9-13-21(32-2)17-24(19)29(27)30;1-5-2-4-3-6-4;1-3-2;/h4-21,36H,1-3H3;4-15,29H,1-3H3;4-17,30H,1-3H3;4H,2-3H2,1H3;1-2H3;1H4
InChIKeyDAEWOHYGMLHNQT-UHFFFAOYSA-N
XLogP25.72
TPSA141.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.66
LogP ≤ 525.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane?
The IUPAC name of 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane (CID 163507999) is 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane.
What is the SMILES notation for 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane?
The canonical SMILES for 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane is C.COC.COCC1CO1.COc1ccc2ccc(OC)c(C3c4cc(I)cc(I)c4Oc4ccc5ccc(OC)cc5c43)c2c1.COc1ccc2ccc(OC)c(C3c4ccc(-c5ccccc5)cc4Oc4ccc5ccc(OC)cc5c43)c2c1.COc1ccc2ccc(OC)c(C3c4ccccc4Oc4ccc5ccc(OC)cc5c43)c2c1.
What is the InChIKey of 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane?
The InChIKey is DAEWOHYGMLHNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O4.C30H22I2O4.C30H24O4.C4H8O2.C2H6O.CH4/c1-37-26-14-9-23-12-17-31(39-3)34(29(23)20-26)36-28-16-11-25(22-7-5-4-6-8-22)19-33(28)40-32-18-13-24-10-15-27(38-2)21-30(24)35(32)36;1-33-19-8-4-16-6-10-25(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;1-31-20-12-8-18-10-14-26(33-3)28(23(18)16-20)30-22-6-4-5-7-25(22)34-27-15-11-19-9-13-21(32-2)17-24(19)29(27)30;1-5-2-4-3-6-4;1-3-2;/h4-21,36H,1-3H3;4-15,29H,1-3H3;4-17,30H,1-3H3;4H,2-3H2,1H3;1-2H3;1H4.
What are the key properties of 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane?
12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane has a molecular weight of 1823.66 g/mol, XLogP of 25.72, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-12H-benzo[a]xanthene;12-(2,7-dimethoxynaphthalen-1-yl)-2-methoxy-9-phenyl-12H-benzo[a]xanthene;methane;methoxymethane;2-(methoxymethyl)oxirane is sourced from PubChem (CID 163507999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).