8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C159H95N11O8 — CID 158483713

About 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 158483713) has the molecular formula C159H95N11O8 and a molecular weight of 2287.58 g/mol. Its IUPAC name is 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

• Compound Name: 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
• PubChem CID: 158483713
• Molecular Formula: C159H95N11O8
• Molecular Weight: 2287.58 g/mol
• Exact Mass: 2285.74
• IUPAC Name: 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(CCc4cccc5c4oc4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccnc3c2c1.N#Cc1ccc2oc3ccc(-c4ccc5oc6c(CCc7ccc8c(c7)c7ccccc7n8-c7cccc8c7oc7ccccc78)ccnc6c5c4)cc3c2c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(CCc7ccnc8c7oc7ccc(-c9ccnc%10c9oc9cccnc9%10)cc78)cccc6c5c4)ccc32)cc1
• InChI: InChI=1S/C56H34N4O2.C53H32N4O3.C50H29N3O3/c57-33-34-17-23-50-44(29-34)41-12-4-7-16-49(41)60(50)40-22-26-53-47(32-40)54-56(62-53)36(27-28-58-54)19-18-35-9-8-14-43-46-31-38(21-25-52(46)61-55(35)43)37-20-24-51-45(30-37)42-13-5-6-15-48(42)59(51)39-10-2-1-3-11-39;1-2-9-36(10-3-1)57-43-13-5-4-11-38(43)40-28-33(17-20-44(40)57)34-18-21-45-41(29-34)39-12-6-8-31(51(39)58-45)15-16-32-23-26-55-48-42-30-35(19-22-46(42)59-52(32)48)37-24-27-56-50-49-47(60-53(37)50)14-7-25-54-49;51-28-30-14-19-45-38(25-30)39-26-32(16-20-46(39)54-45)33-17-21-47-40(27-33)48-49(55-47)31(22-23-52-48)15-12-29-13-18-42-37(24-29)34-6-1-3-9-41(34)53(42)43-10-5-8-36-35-7-2-4-11-44(35)56-50(36)43/h1-17,20-32H,18-19H2;1-14,17-30H,15-16H2;1-11,13-14,16-27H,12,15H2
• InChIKey: HHVFRZDPPHAYTH-UHFFFAOYSA-N
• XLogP: 41.39
• TPSA: 236.87 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2287.58
LogP ≤ 5	41.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?

The IUPAC name of 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 158483713) is 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

What is the SMILES notation for 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?

The canonical SMILES for 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(CCc4cccc5c4oc4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccnc3c2c1.N#Cc1ccc2oc3ccc(-c4ccc5oc6c(CCc7ccc8c(c7)c7ccccc7n8-c7cccc8c7oc7ccccc78)ccnc6c5c4)cc3c2c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(CCc7ccnc8c7oc7ccc(-c9ccnc%10c9oc9cccnc9%10)cc78)cccc6c5c4)ccc32)cc1.

What is the InChIKey of 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?

The InChIKey is HHVFRZDPPHAYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2.C53H32N4O3.C50H29N3O3/c57-33-34-17-23-50-44(29-34)41-12-4-7-16-49(41)60(50)40-22-26-53-47(32-40)54-56(62-53)36(27-28-58-54)19-18-35-9-8-14-43-46-31-38(21-25-52(46)61-55(35)43)37-20-24-51-45(30-37)42-13-5-6-15-48(42)59(51)39-10-2-1-3-11-39;1-2-9-36(10-3-1)57-43-13-5-4-11-38(43)40-28-33(17-20-44(40)57)34-18-21-45-41(29-34)39-12-6-8-31(51(39)58-45)15-16-32-23-26-55-48-42-30-35(19-22-46(42)59-52(32)48)37-24-27-56-50-49-47(60-53(37)50)14-7-25-54-49;51-28-30-14-19-45-38(25-30)39-26-32(16-20-46(39)54-45)33-17-21-47-40(27-33)48-49(55-47)31(22-23-52-48)15-12-29-13-18-42-37(24-29)34-6-1-3-9-41(34)53(42)43-10-5-8-36-35-7-2-4-11-44(35)56-50(36)43/h1-17,20-32H,18-19H2;1-14,17-30H,15-16H2;1-11,13-14,16-27H,12,15H2.

What are the key properties of 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?

8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 2287.58 g/mol, XLogP of 41.39, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[2-(9-dibenzofuran-4-ylcarbazol-3-yl)ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]dibenzofuran-2-carbonitrile;9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile;6-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 158483713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).