15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C36H20N2OS — CID 129297438

IUPAC15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)Sc1cccc3nc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)nc-2c13
InChIInChI=1S/C36H20N2OS/c1-3-9-30-26(6-1)28-20-24(16-17-31(28)39-30)22-12-13-23-19-25(15-14-21(23)18-22)36-37-29-8-5-11-33-34(29)35(38-36)27-7-2-4-10-32(27)40-33/h1-20H
InChIKeyZFWPFNULBUOVLE-UHFFFAOYSA-N
MW528.64 g/mol
LogP10.15
Rot. Bonds2

About 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 129297438) has the molecular formula C36H20N2OS and a molecular weight of 528.64 g/mol. Its IUPAC name is 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID129297438
Molecular FormulaC36H20N2OS
Molecular Weight528.64 g/mol
Exact Mass528.13
IUPAC Name15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)Sc1cccc3nc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)nc-2c13
InChIInChI=1S/C36H20N2OS/c1-3-9-30-26(6-1)28-20-24(16-17-31(28)39-30)22-12-13-23-19-25(15-14-21(23)18-22)36-37-29-8-5-11-33-34(29)35(38-36)27-7-2-4-10-32(27)40-33/h1-20H
InChIKeyZFWPFNULBUOVLE-UHFFFAOYSA-N
XLogP10.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[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 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 129297438) is 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[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 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc2c(c1)Sc1cccc3nc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)nc-2c13.
What is the InChIKey of 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is ZFWPFNULBUOVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N2OS/c1-3-9-30-26(6-1)28-20-24(16-17-31(28)39-30)22-12-13-23-19-25(15-14-21(23)18-22)36-37-29-8-5-11-33-34(29)35(38-36)27-7-2-4-10-32(27)40-33/h1-20H.
What are the key properties of 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 528.64 g/mol, XLogP of 10.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(6-dibenzofuran-2-ylnaphthalen-2-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 129297438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).