9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C34H19NOS — CID 118488629

IUPAC9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)ccc12
InChIInChI=1S/C34H19NOS/c1-2-11-24-23(10-1)31-26-13-5-8-16-30(26)37-34(31)32-25-12-3-6-14-27(25)35(33(24)32)20-17-18-22-21-9-4-7-15-28(21)36-29(22)19-20/h1-19H
InChIKeyQMXUFRUXGFCDHK-UHFFFAOYSA-N
MW489.60 g/mol
LogP10.20
Rot. Bonds1

About 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 118488629) has the molecular formula C34H19NOS and a molecular weight of 489.60 g/mol. Its IUPAC name is 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
PubChem CID118488629
Molecular FormulaC34H19NOS
Molecular Weight489.60 g/mol
Exact Mass489.12
IUPAC Name9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)ccc12
InChIInChI=1S/C34H19NOS/c1-2-11-24-23(10-1)31-26-13-5-8-16-30(26)37-34(31)32-25-12-3-6-14-27(25)35(33(24)32)20-17-18-22-21-9-4-7-15-28(21)36-29(22)19-20/h1-19H
InChIKeyQMXUFRUXGFCDHK-UHFFFAOYSA-N
XLogP10.20
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The IUPAC name of 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 118488629) is 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The canonical SMILES for 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)ccc12.
What is the InChIKey of 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The InChIKey is QMXUFRUXGFCDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19NOS/c1-2-11-24-23(10-1)31-26-13-5-8-16-30(26)37-34(31)32-25-12-3-6-14-27(25)35(33(24)32)20-17-18-22-21-9-4-7-15-28(21)36-29(22)19-20/h1-19H.
What are the key properties of 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 489.60 g/mol, XLogP of 10.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-3-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 118488629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).