5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine

C51H32N2O — CID 135229831

About 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine

5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine (PubChem CID 135229831) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine.

Molecular Properties

• Compound Name: 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine
• PubChem CID: 135229831
• Molecular Formula: C51H32N2O
• Molecular Weight: 688.83 g/mol
• Exact Mass: 688.25
• IUPAC Name: 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine
• SMILES: c1ccc(N2c3ccccc3N(c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)c3ccccc32)cc1
• InChI: InChI=1S/C51H32N2O/c1-2-17-35(18-3-1)52-43-24-10-12-26-45(43)53(46-27-13-11-25-44(46)52)47-28-14-23-40-48(47)38-21-8-9-22-39(38)51(40)41-31-29-33-15-4-6-19-36(33)49(41)54-50-37-20-7-5-16-34(37)30-32-42(50)51/h1-32H
• InChIKey: RTUCWCDSNFMOOX-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.83
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine?

The IUPAC name of 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine (CID 135229831) is 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine.

What is the SMILES notation for 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine?

The canonical SMILES for 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine is c1ccc(N2c3ccccc3N(c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)c3ccccc32)cc1.

What is the InChIKey of 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine?

The InChIKey is RTUCWCDSNFMOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-2-17-35(18-3-1)52-43-24-10-12-26-45(43)53(46-27-13-11-25-44(46)52)47-28-14-23-40-48(47)38-21-8-9-22-39(38)51(40)41-31-29-33-15-4-6-19-36(33)49(41)54-50-37-20-7-5-16-34(37)30-32-42(50)51/h1-32H.

What are the key properties of 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine?

5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine has a molecular weight of 688.83 g/mol, XLogP of 13.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenazine is sourced from PubChem (CID 135229831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).