8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C49H27N7O2 — CID 58099807

IUPAC8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc3c2oc2ccc(-n4c5cccnc5c5ncccc54)cc23)cc(-c2cc(-n3c4ccncc4c4ccncc43)cc3c2oc2cccnc23)c1
InChIInChI=1S/C49H27N7O2/c1-6-28(32-8-2-9-34-36-23-30(13-14-43(36)57-48(32)34)55-40-10-3-17-53-46(40)47-41(55)11-4-18-54-47)22-29(7-1)35-24-31(25-37-45-44(58-49(35)37)12-5-19-52-45)56-39-16-21-50-26-38(39)33-15-20-51-27-42(33)56/h1-27H
InChIKeyGXKXLRLKCVCXFK-UHFFFAOYSA-N
MW745.80 g/mol
LogP11.99
Rot. Bonds4

About 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 58099807) has the molecular formula C49H27N7O2 and a molecular weight of 745.80 g/mol. Its IUPAC name is 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID58099807
Molecular FormulaC49H27N7O2
Molecular Weight745.80 g/mol
Exact Mass745.22
IUPAC Name8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc3c2oc2ccc(-n4c5cccnc5c5ncccc54)cc23)cc(-c2cc(-n3c4ccncc4c4ccncc43)cc3c2oc2cccnc23)c1
InChIInChI=1S/C49H27N7O2/c1-6-28(32-8-2-9-34-36-23-30(13-14-43(36)57-48(32)34)55-40-10-3-17-53-46(40)47-41(55)11-4-18-54-47)22-29(7-1)35-24-31(25-37-45-44(58-49(35)37)12-5-19-52-45)56-39-16-21-50-26-38(39)33-15-20-51-27-42(33)56/h1-27H
InChIKeyGXKXLRLKCVCXFK-UHFFFAOYSA-N
XLogP11.99
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.80
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 58099807) is 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2cccc3c2oc2ccc(-n4c5cccnc5c5ncccc54)cc23)cc(-c2cc(-n3c4ccncc4c4ccncc43)cc3c2oc2cccnc23)c1.
What is the InChIKey of 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is GXKXLRLKCVCXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N7O2/c1-6-28(32-8-2-9-34-36-23-30(13-14-43(36)57-48(32)34)55-40-10-3-17-53-46(40)47-41(55)11-4-18-54-47)22-29(7-1)35-24-31(25-37-45-44(58-49(35)37)12-5-19-52-45)56-39-16-21-50-26-38(39)33-15-20-51-27-42(33)56/h1-27H.
What are the key properties of 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 745.80 g/mol, XLogP of 11.99, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 58099807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).