20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C32H19NOS — CID 123339731

IUPAC20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCc1ccnc2c1c(-c1ccc3oc4ccccc4c3c1)cc1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C32H19NOS/c1-18-12-13-33-32-24-17-30-26(22-7-3-5-9-29(22)35-30)16-20(24)15-23(31(18)32)19-10-11-28-25(14-19)21-6-2-4-8-27(21)34-28/h2-17H,1H3
InChIKeyAADAFIOGWBASFK-UHFFFAOYSA-N
MW465.58 g/mol
LogP9.63
Rot. Bonds1

About 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 123339731) has the molecular formula C32H19NOS and a molecular weight of 465.58 g/mol. Its IUPAC name is 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID123339731
Molecular FormulaC32H19NOS
Molecular Weight465.58 g/mol
Exact Mass465.12
IUPAC Name20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCc1ccnc2c1c(-c1ccc3oc4ccccc4c3c1)cc1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C32H19NOS/c1-18-12-13-33-32-24-17-30-26(22-7-3-5-9-29(22)35-30)16-20(24)15-23(31(18)32)19-10-11-28-25(14-19)21-6-2-4-8-27(21)34-28/h2-17H,1H3
InChIKeyAADAFIOGWBASFK-UHFFFAOYSA-N
XLogP9.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 123339731) is 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is Cc1ccnc2c1c(-c1ccc3oc4ccccc4c3c1)cc1cc3c(cc12)sc1ccccc13.
What is the InChIKey of 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is AADAFIOGWBASFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NOS/c1-18-12-13-33-32-24-17-30-26(22-7-3-5-9-29(22)35-30)16-20(24)15-23(31(18)32)19-10-11-28-25(14-19)21-6-2-4-8-27(21)34-28/h2-17H,1H3.
What are the key properties of 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 465.58 g/mol, XLogP of 9.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-dibenzofuran-2-yl-18-methyl-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 123339731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).