4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine

C90H65N5O5 — CID 157380609

IUPAC4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine
SMILESCc1ccc(-c2cccc3c2oc2ncccc23)cc1.Cc1ccc(-c2ccnc3c2oc2ccccc23)cc1.Cc1ccc(-c2cncc3c2oc2ccccc23)cc1.[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2cccnc23)cc1.[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2ccncc23)cc1
InChIInChI=1S/5C18H13NO/c1-12-7-9-13(10-8-12)14-4-2-5-15-17-16(20-18(14)15)6-3-11-19-17;1-12-7-9-13(10-8-12)14-4-2-5-15-16-6-3-11-19-18(16)20-17(14)15;1-12-5-7-13(8-6-12)14-3-2-4-15-16-11-19-10-9-17(16)20-18(14)15;1-12-6-8-13(9-7-12)15-10-19-11-16-14-4-2-3-5-17(14)20-18(15)16;1-12-6-8-13(9-7-12)14-10-11-19-17-15-4-2-3-5-16(15)20-18(14)17/h5*2-11H,1H3/i1D3;;1D3;;
InChIKeyBKVLPIYWSFRONT-CPOJQKIUSA-N
MW1302.58 g/mol
LogP24.78
Rot. Bonds7

About 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine

4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 157380609) has the molecular formula C90H65N5O5 and a molecular weight of 1302.58 g/mol. Its IUPAC name is 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine
PubChem CID157380609
Molecular FormulaC90H65N5O5
Molecular Weight1302.58 g/mol
Exact Mass1301.54
IUPAC Name4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine
SMILESCc1ccc(-c2cccc3c2oc2ncccc23)cc1.Cc1ccc(-c2ccnc3c2oc2ccccc23)cc1.Cc1ccc(-c2cncc3c2oc2ccccc23)cc1.[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2cccnc23)cc1.[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2ccncc23)cc1
InChIInChI=1S/5C18H13NO/c1-12-7-9-13(10-8-12)14-4-2-5-15-17-16(20-18(14)15)6-3-11-19-17;1-12-7-9-13(10-8-12)14-4-2-5-15-16-6-3-11-19-18(16)20-17(14)15;1-12-5-7-13(8-6-12)14-3-2-4-15-16-11-19-10-9-17(16)20-18(14)15;1-12-6-8-13(9-7-12)15-10-19-11-16-14-4-2-3-5-17(14)20-18(15)16;1-12-6-8-13(9-7-12)14-10-11-19-17-15-4-2-3-5-16(15)20-18(14)17/h5*2-11H,1H3/i1D3;;1D3;;
InChIKeyBKVLPIYWSFRONT-CPOJQKIUSA-N
XLogP24.78
TPSA130.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.58
LogP ≤ 524.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

4-(4-ethylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-ethylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-ethylphenyl)-[1]benzofuro[3,2-c]pyridine;6-(4-ethylphenyl)-[1]benzofuro[3,2-c]pyridine;8-(4-ethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 158435585
bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 167695001
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 90139294
4-[6-([1]benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]pyridine;4-[6-([1]benzofuro[3,2-c]pyridin-4-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-c]pyridine;4-[4-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;1-phenyl-8-[4-[4-(1-phenyl-[1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-phenyl-4-[4-[4-(6-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-phenyl-4-[4-[4-(8-phenyl-[1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 167638105
7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 158403740
benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene
CID 159220756
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
6-(3-methylphenyl)-[1]benzofuro[3,2-c]pyridine
CID 90139219
8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 14638891
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
6-[5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine;6-[5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[3,2-c]pyridine;4-(5-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(5-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(5-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 160789785

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine (CID 157380609) is 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine is Cc1ccc(-c2cccc3c2oc2ncccc23)cc1.Cc1ccc(-c2ccnc3c2oc2ccccc23)cc1.Cc1ccc(-c2cncc3c2oc2ccccc23)cc1.[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2cccnc23)cc1.[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2ccncc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is BKVLPIYWSFRONT-CPOJQKIUSA-N. The full InChI is InChI=1S/5C18H13NO/c1-12-7-9-13(10-8-12)14-4-2-5-15-17-16(20-18(14)15)6-3-11-19-17;1-12-7-9-13(10-8-12)14-4-2-5-15-16-6-3-11-19-18(16)20-17(14)15;1-12-5-7-13(8-6-12)14-3-2-4-15-16-11-19-10-9-17(16)20-18(14)15;1-12-6-8-13(9-7-12)15-10-19-11-16-14-4-2-3-5-17(14)20-18(15)16;1-12-6-8-13(9-7-12)14-10-11-19-17-15-4-2-3-5-16(15)20-18(14)17/h5*2-11H,1H3/i1D3;;1D3;;.
What are the key properties of 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine?
4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 1302.58 g/mol, XLogP of 24.78, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 157380609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).