9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene

C56H30N2O2S — CID 163661173

About 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene

9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene (PubChem CID 163661173) has the molecular formula C56H30N2O2S and a molecular weight of 794.94 g/mol. Its IUPAC name is 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
• PubChem CID: 163661173
• Molecular Formula: C56H30N2O2S
• Molecular Weight: 794.94 g/mol
• Exact Mass: 794.20
• IUPAC Name: 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
• SMILES: c1ccc2cc3c(cc2c1)oc1c3ccc2c1c1ccccc1n2-c1ccc2c(c1)sc1cc(-n3c4ccccc4c4c5oc6cc7ccccc7cc6c5ccc43)ccc12
• InChI: InChI=1S/C56H30N2O2S/c1-3-11-33-27-49-43(25-31(33)9-1)39-21-23-47-53(55(39)59-49)41-13-5-7-15-45(41)57(47)35-17-19-37-38-20-18-36(30-52(38)61-51(37)29-35)58-46-16-8-6-14-42(46)54-48(58)24-22-40-44-26-32-10-2-4-12-34(32)28-50(44)60-56(40)54/h1-30H
• InChIKey: IUMUQYDEMOOONR-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 36.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.94
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?

The IUPAC name of 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene (CID 163661173) is 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene.

What is the SMILES notation for 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?

The canonical SMILES for 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene is c1ccc2cc3c(cc2c1)oc1c3ccc2c1c1ccccc1n2-c1ccc2c(c1)sc1cc(-n3c4ccccc4c4c5oc6cc7ccccc7cc6c5ccc43)ccc12.

What is the InChIKey of 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?

The InChIKey is IUMUQYDEMOOONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30N2O2S/c1-3-11-33-27-49-43(25-31(33)9-1)39-21-23-47-53(55(39)59-49)41-13-5-7-15-45(41)57(47)35-17-19-37-38-20-18-36(30-52(38)61-51(37)29-35)58-46-16-8-6-14-42(46)54-48(58)24-22-40-44-26-32-10-2-4-12-34(32)28-50(44)60-56(40)54/h1-30H.

What are the key properties of 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?

9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene has a molecular weight of 794.94 g/mol, XLogP of 16.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-(24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaen-9-yl)dibenzothiophen-3-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 163661173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).