21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene

C33H18N2OS — CID 145354166

IUPAC21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene
SMILESc1ccc2c(c1)Oc1nccc3c1c-2cc1c3c2ccccc2n1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C33H18N2OS/c1-4-12-25-22(10-1)30-23-16-17-34-33-31(23)24(19-8-2-5-14-28(19)36-33)18-27(30)35(25)26-13-7-11-21-20-9-3-6-15-29(20)37-32(21)26/h1-18H
InChIKeyZKHZBHBYOZIOLH-UHFFFAOYSA-N
MW490.59 g/mol
LogP9.47
Rot. Bonds1

About 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene

21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene (PubChem CID 145354166) has the molecular formula C33H18N2OS and a molecular weight of 490.59 g/mol. Its IUPAC name is 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene.

Molecular Properties

Compound Name21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene
PubChem CID145354166
Molecular FormulaC33H18N2OS
Molecular Weight490.59 g/mol
Exact Mass490.11
IUPAC Name21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene
SMILESc1ccc2c(c1)Oc1nccc3c1c-2cc1c3c2ccccc2n1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C33H18N2OS/c1-4-12-25-22(10-1)30-23-16-17-34-33-31(23)24(19-8-2-5-14-28(19)36-33)18-27(30)35(25)26-13-7-11-21-20-9-3-6-15-29(20)37-32(21)26/h1-18H
InChIKeyZKHZBHBYOZIOLH-UHFFFAOYSA-N
XLogP9.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.59
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene 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 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene?
The IUPAC name of 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene (CID 145354166) is 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene.
What is the SMILES notation for 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene?
The canonical SMILES for 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene is c1ccc2c(c1)Oc1nccc3c1c-2cc1c3c2ccccc2n1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene?
The InChIKey is ZKHZBHBYOZIOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N2OS/c1-4-12-25-22(10-1)30-23-16-17-34-33-31(23)24(19-8-2-5-14-28(19)36-33)18-27(30)35(25)26-13-7-11-21-20-9-3-6-15-29(20)37-32(21)26/h1-18H.
What are the key properties of 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene?
21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene has a molecular weight of 490.59 g/mol, XLogP of 9.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 21-dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene is sourced from PubChem (CID 145354166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).