14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C35H20N2OS — CID 118503129

IUPAC14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)nc3)cccc12
InChIInChI=1S/C35H20N2OS/c1-4-13-27-25(9-1)33-28(17-18-31-34(33)26-10-3-6-15-30(26)39-31)37(27)32-19-16-21(20-36-32)22-11-7-12-24-23-8-2-5-14-29(23)38-35(22)24/h1-20H
InChIKeyYNKDTXMLKCHTKD-UHFFFAOYSA-N
MW516.63 g/mol
LogP10.11
Rot. Bonds2

About 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 118503129) has the molecular formula C35H20N2OS and a molecular weight of 516.63 g/mol. Its IUPAC name is 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID118503129
Molecular FormulaC35H20N2OS
Molecular Weight516.63 g/mol
Exact Mass516.13
IUPAC Name14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)nc3)cccc12
InChIInChI=1S/C35H20N2OS/c1-4-13-27-25(9-1)33-28(17-18-31-34(33)26-10-3-6-15-30(26)39-31)37(27)32-19-16-21(20-36-32)22-11-7-12-24-23-8-2-5-14-29(23)38-35(22)24/h1-20H
InChIKeyYNKDTXMLKCHTKD-UHFFFAOYSA-N
XLogP10.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 118503129) is 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)nc3)cccc12.
What is the InChIKey of 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is YNKDTXMLKCHTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N2OS/c1-4-13-27-25(9-1)33-28(17-18-31-34(33)26-10-3-6-15-30(26)39-31)37(27)32-19-16-21(20-36-32)22-11-7-12-24-23-8-2-5-14-29(23)38-35(22)24/h1-20H.
What are the key properties of 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 516.63 g/mol, XLogP of 10.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(5-dibenzofuran-4-yl-2-pyridinyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 118503129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).