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

C51H29N5O2 — CID 58099677

IUPAC8-[6-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-yl)phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cccc3c2oc2ccc(-n4c5ccncc5c5cnccc54)cc23)cc(-n2c3ccncc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C51H29N5O2/c1-2-13-48-36(8-1)37-11-4-10-35(50(37)57-48)31-14-16-44-39(25-31)41-27-52-21-18-45(41)55(44)32-7-3-6-30(24-32)34-9-5-12-38-40-26-33(15-17-49(40)58-51(34)38)56-46-19-22-53-28-42(46)43-29-54-23-20-47(43)56/h1-29H
InChIKeyQTMHBTNHTJJXNT-UHFFFAOYSA-N
MW743.83 g/mol
LogP13.20
Rot. Bonds4

About 8-[6-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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 58099677) has the molecular formula C51H29N5O2 and a molecular weight of 743.83 g/mol. Its IUPAC name is 8-[6-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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 CID58099677
Molecular FormulaC51H29N5O2
Molecular Weight743.83 g/mol
Exact Mass743.23
IUPAC Name8-[6-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-yl)phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cccc3c2oc2ccc(-n4c5ccncc5c5cnccc54)cc23)cc(-n2c3ccncc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C51H29N5O2/c1-2-13-48-36(8-1)37-11-4-10-35(50(37)57-48)31-14-16-44-39(25-31)41-27-52-21-18-45(41)55(44)32-7-3-6-30(24-32)34-9-5-12-38-40-26-33(15-17-49(40)58-51(34)38)56-46-19-22-53-28-42(46)43-29-54-23-20-47(43)56/h1-29H
InChIKeyQTMHBTNHTJJXNT-UHFFFAOYSA-N
XLogP13.20
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.83
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[6-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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 58099677) is 8-[6-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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 c1cc(-c2cccc3c2oc2ccc(-n4c5ccncc5c5cnccc54)cc23)cc(-n2c3ccncc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1.
What is the InChIKey of 8-[6-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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 QTMHBTNHTJJXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N5O2/c1-2-13-48-36(8-1)37-11-4-10-35(50(37)57-48)31-14-16-44-39(25-31)41-27-52-21-18-45(41)55(44)32-7-3-6-30(24-32)34-9-5-12-38-40-26-33(15-17-49(40)58-51(34)38)56-46-19-22-53-28-42(46)43-29-54-23-20-47(43)56/h1-29H.
What are the key properties of 8-[6-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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 743.83 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-(8-dibenzofuran-4-ylpyrido[4,3-b]indol-5-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 58099677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).