bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine

C167H131N13O9 — CID 157250435

IUPACbis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2cc3oc4ccccc4c3cn2)cc1C.Cc1ccc(-c2cc3oc4ncccc4c3cn2)cc1C.Cc1ccc(-c2nccc3c2oc2ccccc23)cc1C.Cc1ccc(-c2nccc3c2oc2ncccc23)cc1C.Cc1cnc(-c2ccc3c(c2)oc2ccccc23)cc1C.Cc1cnc(-c2ccc3c(c2)oc2ccccc23)cc1C.Cc1cnc(-c2ccc3c(c2)oc2ncccc23)cc1C.Cc1cnc(-c2cccc3c2oc2ccccc23)cc1C.Cc1cnc(-c2cccc3c2oc2ncccc23)cc1C
InChIInChI=1S/5C19H15NO.4C18H14N2O/c1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;2*1-12-9-17(20-11-13(12)2)14-7-8-16-15-5-3-4-6-18(15)21-19(16)10-14;1-12-7-8-14(9-13(12)2)17-10-19-16(11-20-17)15-5-3-4-6-18(15)21-19;1-12-7-8-14(11-13(12)2)18-19-16(9-10-20-18)15-5-3-4-6-17(15)21-19;1-11-9-16(20-10-12(11)2)15-6-3-5-13-14-7-4-8-19-18(14)21-17(13)15;1-11-5-6-13(10-12(11)2)16-17-14(7-9-19-16)15-4-3-8-20-18(15)21-17;1-11-8-16(20-10-12(11)2)13-5-6-14-15-4-3-7-19-18(15)21-17(14)9-13;1-11-5-6-13(8-12(11)2)16-9-17-15(10-20-16)14-4-3-7-19-18(14)21-17/h5*3-11H,1-2H3;4*3-10H,1-2H3
InChIKeyAWGVGKPTIJDNPT-UHFFFAOYSA-N
MW2463.97 g/mol
LogP44.96
Rot. Bonds9

About bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine

bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 157250435) has the molecular formula C167H131N13O9 and a molecular weight of 2463.97 g/mol. Its IUPAC name is bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Namebis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID157250435
Molecular FormulaC167H131N13O9
Molecular Weight2463.97 g/mol
Exact Mass2462.02
IUPAC Namebis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2cc3oc4ccccc4c3cn2)cc1C.Cc1ccc(-c2cc3oc4ncccc4c3cn2)cc1C.Cc1ccc(-c2nccc3c2oc2ccccc23)cc1C.Cc1ccc(-c2nccc3c2oc2ncccc23)cc1C.Cc1cnc(-c2ccc3c(c2)oc2ccccc23)cc1C.Cc1cnc(-c2ccc3c(c2)oc2ccccc23)cc1C.Cc1cnc(-c2ccc3c(c2)oc2ncccc23)cc1C.Cc1cnc(-c2cccc3c2oc2ccccc23)cc1C.Cc1cnc(-c2cccc3c2oc2ncccc23)cc1C
InChIInChI=1S/5C19H15NO.4C18H14N2O/c1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;2*1-12-9-17(20-11-13(12)2)14-7-8-16-15-5-3-4-6-18(15)21-19(16)10-14;1-12-7-8-14(9-13(12)2)17-10-19-16(11-20-17)15-5-3-4-6-18(15)21-19;1-12-7-8-14(11-13(12)2)18-19-16(9-10-20-18)15-5-3-4-6-17(15)21-19;1-11-9-16(20-10-12(11)2)15-6-3-5-13-14-7-4-8-19-18(14)21-17(13)15;1-11-5-6-13(10-12(11)2)16-17-14(7-9-19-16)15-4-3-8-20-18(15)21-17;1-11-8-16(20-10-12(11)2)13-5-6-14-15-4-3-7-19-18(15)21-17(14)9-13;1-11-5-6-13(8-12(11)2)16-9-17-15(10-20-16)14-4-3-7-19-18(14)21-17/h5*3-11H,1-2H3;4*3-10H,1-2H3
InChIKeyAWGVGKPTIJDNPT-UHFFFAOYSA-N
XLogP44.96
TPSA285.83 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002463.97
LogP ≤ 544.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (CID 157250435) is bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc(-c2cc3oc4ccccc4c3cn2)cc1C.Cc1ccc(-c2cc3oc4ncccc4c3cn2)cc1C.Cc1ccc(-c2nccc3c2oc2ccccc23)cc1C.Cc1ccc(-c2nccc3c2oc2ncccc23)cc1C.Cc1cnc(-c2ccc3c(c2)oc2ccccc23)cc1C.Cc1cnc(-c2ccc3c(c2)oc2ccccc23)cc1C.Cc1cnc(-c2ccc3c(c2)oc2ncccc23)cc1C.Cc1cnc(-c2cccc3c2oc2ccccc23)cc1C.Cc1cnc(-c2cccc3c2oc2ncccc23)cc1C.
What is the InChIKey of bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is AWGVGKPTIJDNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/5C19H15NO.4C18H14N2O/c1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;2*1-12-9-17(20-11-13(12)2)14-7-8-16-15-5-3-4-6-18(15)21-19(16)10-14;1-12-7-8-14(9-13(12)2)17-10-19-16(11-20-17)15-5-3-4-6-18(15)21-19;1-12-7-8-14(11-13(12)2)18-19-16(9-10-20-18)15-5-3-4-6-17(15)21-19;1-11-9-16(20-10-12(11)2)15-6-3-5-13-14-7-4-8-19-18(14)21-17(13)15;1-11-5-6-13(10-12(11)2)16-17-14(7-9-19-16)15-4-3-8-20-18(15)21-17;1-11-8-16(20-10-12(11)2)13-5-6-14-15-4-3-7-19-18(15)21-17(14)9-13;1-11-5-6-13(8-12(11)2)16-9-17-15(10-20-16)14-4-3-7-19-18(14)21-17/h5*3-11H,1-2H3;4*3-10H,1-2H3.
What are the key properties of bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 2463.97 g/mol, XLogP of 44.96, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-dibenzofuran-3-yl-4,5-dimethylpyridine);2-dibenzofuran-4-yl-4,5-dimethylpyridine;1-(3,4-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine;3-(3,4-dimethylphenyl)-[1]benzofuro[3,2-c]pyridine;5-(3,4-dimethylphenyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3,4-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;7-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 157250435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).