8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine

C76H42N12O3 — CID 87766699

About 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine

8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 87766699) has the molecular formula C76H42N12O3 and a molecular weight of 1171.25 g/mol. Its IUPAC name is 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 87766699
• Molecular Formula: C76H42N12O3
• Molecular Weight: 1171.25 g/mol
• Exact Mass: 1170.35
• IUPAC Name: 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine
• SMILES: C1=C(c2ccnc3c2oc2ccc(-n4c5cccnc5c5ncccc54)cc23)CCc2c1c1cnccc1n2-c1ccc2oc3c(-n4c5ccc(-c6ccnc7c6oc6ccc(-n8c9cccnc9c9ncccc98)cc67)cc5c5ncccc54)cccc3c2c1
• InChI: InChI=1S/C76H42N12O3/c1-7-48-50-37-43(85-55-19-14-41(35-49(55)54-40-77-32-26-57(54)85)46-24-33-83-68-52-38-44(17-22-65(52)90-75(46)68)86-59-10-3-28-79-70(59)71-60(86)11-4-29-80-71)16-21-64(50)89-74(48)63(8-1)88-56-20-15-42(36-51(56)67-58(88)9-2-27-78-67)47-25-34-84-69-53-39-45(18-23-66(53)91-76(47)69)87-61-12-5-30-81-72(61)73-62(87)13-6-31-82-73/h1-13,15-18,20-40H,14,19H2
• InChIKey: KAADCSBXTBMZKX-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 162.26 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1171.25
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine (CID 87766699) is 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine is C1=C(c2ccnc3c2oc2ccc(-n4c5cccnc5c5ncccc54)cc23)CCc2c1c1cnccc1n2-c1ccc2oc3c(-n4c5ccc(-c6ccnc7c6oc6ccc(-n8c9cccnc9c9ncccc98)cc67)cc5c5ncccc54)cccc3c2c1.

What is the InChIKey of 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is KAADCSBXTBMZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H42N12O3/c1-7-48-50-37-43(85-55-19-14-41(35-49(55)54-40-77-32-26-57(54)85)46-24-33-83-68-52-38-44(17-22-65(52)90-75(46)68)86-59-10-3-28-79-70(59)71-60(86)11-4-29-80-71)16-21-64(50)89-74(48)63(8-1)88-56-20-15-42(36-51(56)67-58(88)9-2-27-78-67)47-25-34-84-69-53-39-45(18-23-66(53)91-76(47)69)87-61-12-5-30-81-72(61)73-62(87)13-6-31-82-73/h1-13,15-18,20-40H,14,19H2.

What are the key properties of 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine?

8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1171.25 g/mol, XLogP of 17.93, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[8-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]-6,7-dihydropyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]pyrido[3,2-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 87766699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).