4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine

C85H49N13O4 — CID 158799147

IUPAC4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2ccnc3c2oc2ccc(-n4c5ccccc5c5ncccc54)cc23)nc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4ccnc4)ccnc3c2c1.c1ccc2c(c1)oc1c(-c3ccnc4c3oc3ccc(-n5c6ccncc6c6cnccc65)cc34)ccnc12
InChIInChI=1S/C32H17N5O2.C27H16N4O.C26H16N4O/c1-2-4-27-21(3-1)29-31(38-27)19(7-13-35-29)20-8-14-36-30-22-15-18(5-6-28(22)39-32(20)30)37-25-9-11-33-16-23(25)24-17-34-12-10-26(24)37;1-2-8-22-19(6-1)25-23(9-5-14-29-25)31(22)17-10-11-24-20(16-17)26-27(32-24)18(12-15-30-26)21-7-3-4-13-28-21;1-3-7-21-18(5-1)19-6-2-4-8-22(19)30(21)17-9-10-24-20(15-17)25-26(31-24)23(11-12-28-25)29-14-13-27-16-29/h1-17H;1-16H;1-16H
InChIKeyITGHTMSPSPLZSR-UHFFFAOYSA-N
MW1316.41 g/mol
LogP20.63
Rot. Bonds6

About 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine

4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 158799147) has the molecular formula C85H49N13O4 and a molecular weight of 1316.41 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID158799147
Molecular FormulaC85H49N13O4
Molecular Weight1316.41 g/mol
Exact Mass1315.40
IUPAC Name4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2ccnc3c2oc2ccc(-n4c5ccccc5c5ncccc54)cc23)nc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4ccnc4)ccnc3c2c1.c1ccc2c(c1)oc1c(-c3ccnc4c3oc3ccc(-n5c6ccncc6c6cnccc65)cc34)ccnc12
InChIInChI=1S/C32H17N5O2.C27H16N4O.C26H16N4O/c1-2-4-27-21(3-1)29-31(38-27)19(7-13-35-29)20-8-14-36-30-22-15-18(5-6-28(22)39-32(20)30)37-25-9-11-33-16-23(25)24-17-34-12-10-26(24)37;1-2-8-22-19(6-1)25-23(9-5-14-29-25)31(22)17-10-11-24-20(16-17)26-27(32-24)18(12-15-30-26)21-7-3-4-13-28-21;1-3-7-21-18(5-1)19-6-2-4-8-22(19)30(21)17-9-10-24-20(15-17)25-26(31-24)23(11-12-28-25)29-14-13-27-16-29/h1-17H;1-16H;1-16H
InChIKeyITGHTMSPSPLZSR-UHFFFAOYSA-N
XLogP20.63
TPSA188.29 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.41
LogP ≤ 520.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
6-Fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
CID 144612650
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))
CID 158282275
CID 158849447
CID 158849447
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158885713
3-[2,6-Di(propan-2-yl)phenyl]-4-phenyl-16-oxa-3,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,4,6,8,10,12,14-heptaene;3-[2,6-di(propan-2-yl)phenyl]-4-phenyl-16-oxa-3,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,4,6,8,10,12,14-heptaene;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonic acid
CID 159638761
3-[4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyanophenyl]benzonitrile;3-[4,5-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-methylphenyl]benzonitrile;9-[4-(3-isocyanophenyl)-5-methyl-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(3-isocyanophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole
CID 159788476
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole;bis(8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)
CID 160828696
2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;methane;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 161276231

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine (CID 158799147) is 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2ccnc3c2oc2ccc(-n4c5ccccc5c5ncccc54)cc23)nc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4ccnc4)ccnc3c2c1.c1ccc2c(c1)oc1c(-c3ccnc4c3oc3ccc(-n5c6ccncc6c6cnccc65)cc34)ccnc12.
What is the InChIKey of 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ITGHTMSPSPLZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17N5O2.C27H16N4O.C26H16N4O/c1-2-4-27-21(3-1)29-31(38-27)19(7-13-35-29)20-8-14-36-30-22-15-18(5-6-28(22)39-32(20)30)37-25-9-11-33-16-23(25)24-17-34-12-10-26(24)37;1-2-8-22-19(6-1)25-23(9-5-14-29-25)31(22)17-10-11-24-20(16-17)26-27(32-24)18(12-15-30-26)21-7-3-4-13-28-21;1-3-7-21-18(5-1)19-6-2-4-8-22(19)30(21)17-9-10-24-20(15-17)25-26(31-24)23(11-12-28-25)29-14-13-27-16-29/h1-17H;1-16H;1-16H.
What are the key properties of 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1316.41 g/mol, XLogP of 20.63, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-b]pyridin-4-yl)-8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridine;8-carbazol-9-yl-4-imidazol-1-yl-[1]benzofuro[3,2-b]pyridine;4-pyridin-2-yl-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 158799147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).