8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C50H30N6O2 — CID 69285095

IUPAC8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=CC2Oc3c(-c4ccccc4-c4cccc5c4oc4ccc(-n6c7ccncc7c7cnccc76)cc45)cc(-n4c5ccncc5c5cnccc54)cc3C2C=C1
InChIInChI=1S/C50H30N6O2/c1-2-7-32(37-23-30(24-38-33-8-3-4-11-47(33)57-50(37)38)56-45-16-20-53-27-41(45)42-28-54-21-17-46(42)56)31(6-1)34-9-5-10-35-36-22-29(12-13-48(36)58-49(34)35)55-43-14-18-51-25-39(43)40-26-52-19-15-44(40)55/h1-28,33,47H
InChIKeyMWNPOGWOGYLBEZ-UHFFFAOYSA-N
MW746.83 g/mol
LogP11.66
Rot. Bonds4

About 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 69285095) has the molecular formula C50H30N6O2 and a molecular weight of 746.83 g/mol. Its IUPAC name is 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID69285095
Molecular FormulaC50H30N6O2
Molecular Weight746.83 g/mol
Exact Mass746.24
IUPAC Name8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=CC2Oc3c(-c4ccccc4-c4cccc5c4oc4ccc(-n6c7ccncc7c7cnccc76)cc45)cc(-n4c5ccncc5c5cnccc54)cc3C2C=C1
InChIInChI=1S/C50H30N6O2/c1-2-7-32(37-23-30(24-38-33-8-3-4-11-47(33)57-50(37)38)56-45-16-20-53-27-41(45)42-28-54-21-17-46(42)56)31(6-1)34-9-5-10-35-36-22-29(12-13-48(36)58-49(34)35)55-43-14-18-51-25-39(43)40-26-52-19-15-44(40)55/h1-28,33,47H
InChIKeyMWNPOGWOGYLBEZ-UHFFFAOYSA-N
XLogP11.66
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.83
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 69285095) is 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C1=CC2Oc3c(-c4ccccc4-c4cccc5c4oc4ccc(-n6c7ccncc7c7cnccc76)cc45)cc(-n4c5ccncc5c5cnccc54)cc3C2C=C1.
What is the InChIKey of 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is MWNPOGWOGYLBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N6O2/c1-2-7-32(37-23-30(24-38-33-8-3-4-11-47(33)57-50(37)38)56-45-16-20-53-27-41(45)42-28-54-21-17-46(42)56)31(6-1)34-9-5-10-35-36-22-29(12-13-48(36)58-49(34)35)55-43-14-18-51-25-39(43)40-26-52-19-15-44(40)55/h1-28,33,47H.
What are the key properties of 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 746.83 g/mol, XLogP of 11.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[2-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-5a,9a-dihydrodibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 69285095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).