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8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C43H24N4OS — CID 155788583

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C43H24N4OS/c1-4-17-33-27(12-1)29-15-7-10-25-11-8-18-34(39(25)29)47(33)43-45-41(26-22-23-38-32(24-26)28-13-3-6-21-37(28)49-38)44-42(46-43)31-16-9-20-36-40(31)30-14-2-5-19-35(30)48-36/h1-24H
InChIKeyUMEKVOKVALJYSB-UHFFFAOYSA-N
MW644.76 g/mol
LogP12.08
Rot. Bonds3

About 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 155788583) has the molecular formula C43H24N4OS and a molecular weight of 644.76 g/mol. Its IUPAC name is 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID155788583
Molecular FormulaC43H24N4OS
Molecular Weight644.76 g/mol
Exact Mass644.17
IUPAC Name8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C43H24N4OS/c1-4-17-33-27(12-1)29-15-7-10-25-11-8-18-34(39(25)29)47(33)43-45-41(26-22-23-38-32(24-26)28-13-3-6-21-37(28)49-38)44-42(46-43)31-16-9-20-36-40(31)30-14-2-5-19-35(30)48-36/h1-24H
InChIKeyUMEKVOKVALJYSB-UHFFFAOYSA-N
XLogP12.08
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.76
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 155788583) is 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2cccc3oc4ccccc4c23)n1.
What is the InChIKey of 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is UMEKVOKVALJYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N4OS/c1-4-17-33-27(12-1)29-15-7-10-25-11-8-18-34(39(25)29)47(33)43-45-41(26-22-23-38-32(24-26)28-13-3-6-21-37(28)49-38)44-42(46-43)31-16-9-20-36-40(31)30-14-2-5-19-35(30)48-36/h1-24H.
What are the key properties of 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 644.76 g/mol, XLogP of 12.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-dibenzofuran-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 155788583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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