14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C32H18N2OS — CID 137456706

IUPAC14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1cc(-c2cnc3c(n2)oc2ccc4ccccc4c23)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C32H18N2OS/c1-2-10-22-19(7-1)15-16-27-29(22)30-32(35-27)34-26(18-33-30)21-9-5-8-20(17-21)23-12-6-13-25-24-11-3-4-14-28(24)36-31(23)25/h1-18H
InChIKeyXQEXMJCDYBDMNI-UHFFFAOYSA-N
MW478.58 g/mol
LogP9.23
Rot. Bonds2

About 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 137456706) has the molecular formula C32H18N2OS and a molecular weight of 478.58 g/mol. Its IUPAC name is 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID137456706
Molecular FormulaC32H18N2OS
Molecular Weight478.58 g/mol
Exact Mass478.11
IUPAC Name14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1cc(-c2cnc3c(n2)oc2ccc4ccccc4c23)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C32H18N2OS/c1-2-10-22-19(7-1)15-16-27-29(22)30-32(35-27)34-26(18-33-30)21-9-5-8-20(17-21)23-12-6-13-25-24-11-3-4-14-28(24)36-31(23)25/h1-18H
InChIKeyXQEXMJCDYBDMNI-UHFFFAOYSA-N
XLogP9.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 137456706) is 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1cc(-c2cnc3c(n2)oc2ccc4ccccc4c23)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is XQEXMJCDYBDMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2OS/c1-2-10-22-19(7-1)15-16-27-29(22)30-32(35-27)34-26(18-33-30)21-9-5-8-20(17-21)23-12-6-13-25-24-11-3-4-14-28(24)36-31(23)25/h1-18H.
What are the key properties of 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 478.58 g/mol, XLogP of 9.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3-dibenzothiophen-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 137456706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).