20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene

C32H19NOS — CID 123443425

IUPAC20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
SMILESCc1cc2c(cn1)c(-c1cccc3c1sc1ccccc13)cc1cc3c(cc12)oc1ccccc13
InChIInChI=1S/C32H19NOS/c1-18-13-25-24-16-30-27(20-7-2-4-11-29(20)34-30)15-19(24)14-26(28(25)17-33-18)23-10-6-9-22-21-8-3-5-12-31(21)35-32(22)23/h2-17H,1H3
InChIKeyCMDWWBZNAVDTPD-UHFFFAOYSA-N
MW465.58 g/mol
LogP9.63
Rot. Bonds1

About 20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene

20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene (PubChem CID 123443425) has the molecular formula C32H19NOS and a molecular weight of 465.58 g/mol. Its IUPAC name is 20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene.

Molecular Properties

Compound Name20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
PubChem CID123443425
Molecular FormulaC32H19NOS
Molecular Weight465.58 g/mol
Exact Mass465.12
IUPAC Name20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
SMILESCc1cc2c(cn1)c(-c1cccc3c1sc1ccccc13)cc1cc3c(cc12)oc1ccccc13
InChIInChI=1S/C32H19NOS/c1-18-13-25-24-16-30-27(20-7-2-4-11-29(20)34-30)15-19(24)14-26(28(25)17-33-18)23-10-6-9-22-21-8-3-5-12-31(21)35-32(22)23/h2-17H,1H3
InChIKeyCMDWWBZNAVDTPD-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-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The IUPAC name of 20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene (CID 123443425) is 20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene.
What is the SMILES notation for 20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The canonical SMILES for 20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene is Cc1cc2c(cn1)c(-c1cccc3c1sc1ccccc13)cc1cc3c(cc12)oc1ccccc13.
What is the InChIKey of 20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The InChIKey is CMDWWBZNAVDTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NOS/c1-18-13-25-24-16-30-27(20-7-2-4-11-29(20)34-30)15-19(24)14-26(28(25)17-33-18)23-10-6-9-22-21-8-3-5-12-31(21)35-32(22)23/h2-17H,1H3.
What are the key properties of 20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-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-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene is sourced from PubChem (CID 123443425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).