23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene

C58H34N2OS — CID 140941235

About 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene

23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene (PubChem CID 140941235) has the molecular formula C58H34N2OS and a molecular weight of 806.99 g/mol. Its IUPAC name is 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene.

Molecular Properties

• Compound Name: 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene
• PubChem CID: 140941235
• Molecular Formula: C58H34N2OS
• Molecular Weight: 806.99 g/mol
• Exact Mass: 806.24
• IUPAC Name: 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene
• SMILES: c1cc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc(N2c3cc4c(cc3C3Oc5ccccc5C32)sc2ccccc24)c1
• InChI: InChI=1S/C58H34N2OS/c1-7-22-44-35(16-1)36-17-2-8-23-45(36)58(44)46-24-9-3-19-38(46)54-47(58)29-28-41-53(54)39-20-4-10-25-48(39)59-55(41)33-14-13-15-34(30-33)60-49-31-42-37-18-6-12-27-51(37)62-52(42)32-43(49)57-56(60)40-21-5-11-26-50(40)61-57/h1-32,56-57H
• InChIKey: MIMNNKIJZCXVQU-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 25.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.99
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene?

The IUPAC name of 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene (CID 140941235) is 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene.

What is the SMILES notation for 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene?

The canonical SMILES for 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene is c1cc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc(N2c3cc4c(cc3C3Oc5ccccc5C32)sc2ccccc24)c1.

What is the InChIKey of 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene?

The InChIKey is MIMNNKIJZCXVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2OS/c1-7-22-44-35(16-1)36-17-2-8-23-45(36)58(44)46-24-9-3-19-38(46)54-47(58)29-28-41-53(54)39-20-4-10-25-48(39)59-55(41)33-14-13-15-34(30-33)60-49-31-42-37-18-6-12-27-51(37)62-52(42)32-43(49)57-56(60)40-21-5-11-26-50(40)61-57/h1-32,56-57H.

What are the key properties of 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene?

23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene has a molecular weight of 806.99 g/mol, XLogP of 15.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(3-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)-15-oxa-10-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,16,18,20-nonaene is sourced from PubChem (CID 140941235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).