1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane

C45H37I2N11O2 — CID 159854230

IUPAC1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane
SMILESC.COc1ccnc2c1ccc1c(OC)ccnc12.Ic1cccc(I)c1.c1cc(-n2cnc3cccnc32)cc(-n2cnc3cccnc32)c1.c1cnc2nc[nH]c2c1
InChIInChI=1S/C18H12N6.C14H12N2O2.C6H4I2.C6H5N3.CH4/c1-4-13(23-11-21-15-6-2-8-19-17(15)23)10-14(5-1)24-12-22-16-7-3-9-20-18(16)24;1-17-11-5-7-15-13-9(11)3-4-10-12(18-2)6-8-16-14(10)13;7-5-2-1-3-6(8)4-5;1-2-5-6(7-3-1)9-4-8-5;/h1-12H;3-8H,1-2H3;1-4H;1-4H,(H,7,8,9);1H4
InChIKeyNQHZBNHQINFVOU-UHFFFAOYSA-N
MW1017.67 g/mol
LogP10.44
Rot. Bonds4

About 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane

1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane (PubChem CID 159854230) has the molecular formula C45H37I2N11O2 and a molecular weight of 1017.67 g/mol. Its IUPAC name is 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane.

Molecular Properties

Compound Name1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane
PubChem CID159854230
Molecular FormulaC45H37I2N11O2
Molecular Weight1017.67 g/mol
Exact Mass1017.12
IUPAC Name1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane
SMILESC.COc1ccnc2c1ccc1c(OC)ccnc12.Ic1cccc(I)c1.c1cc(-n2cnc3cccnc32)cc(-n2cnc3cccnc32)c1.c1cnc2nc[nH]c2c1
InChIInChI=1S/C18H12N6.C14H12N2O2.C6H4I2.C6H5N3.CH4/c1-4-13(23-11-21-15-6-2-8-19-17(15)23)10-14(5-1)24-12-22-16-7-3-9-20-18(16)24;1-17-11-5-7-15-13-9(11)3-4-10-12(18-2)6-8-16-14(10)13;7-5-2-1-3-6(8)4-5;1-2-5-6(7-3-1)9-4-8-5;/h1-12H;3-8H,1-2H3;1-4H;1-4H,(H,7,8,9);1H4
InChIKeyNQHZBNHQINFVOU-UHFFFAOYSA-N
XLogP10.44
TPSA147.23 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001017.67
LogP ≤ 510.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane?
The IUPAC name of 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane (CID 159854230) is 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane.
What is the SMILES notation for 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane?
The canonical SMILES for 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane is C.COc1ccnc2c1ccc1c(OC)ccnc12.Ic1cccc(I)c1.c1cc(-n2cnc3cccnc32)cc(-n2cnc3cccnc32)c1.c1cnc2nc[nH]c2c1.
What is the InChIKey of 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane?
The InChIKey is NQHZBNHQINFVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6.C14H12N2O2.C6H4I2.C6H5N3.CH4/c1-4-13(23-11-21-15-6-2-8-19-17(15)23)10-14(5-1)24-12-22-16-7-3-9-20-18(16)24;1-17-11-5-7-15-13-9(11)3-4-10-12(18-2)6-8-16-14(10)13;7-5-2-1-3-6(8)4-5;1-2-5-6(7-3-1)9-4-8-5;/h1-12H;3-8H,1-2H3;1-4H;1-4H,(H,7,8,9);1H4.
What are the key properties of 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane?
1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane has a molecular weight of 1017.67 g/mol, XLogP of 10.44, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodobenzene;4,7-dimethoxy-1,10-phenanthroline;1H-imidazo[4,5-b]pyridine;3-(3-imidazo[4,5-b]pyridin-3-ylphenyl)imidazo[4,5-b]pyridine;methane is sourced from PubChem (CID 159854230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).