9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene

C62H38N2 — CID 166584451

About 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene

9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene (PubChem CID 166584451) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene.

Molecular Properties

• Compound Name: 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
• PubChem CID: 166584451
• Molecular Formula: C62H38N2
• Molecular Weight: 811.00 g/mol
• Exact Mass: 810.30
• IUPAC Name: 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
• SMILES: c1ccc(-c2nc3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)ccc3c3c2ccc2c3c3ccccc3n2-c2ccccc2)cc1
• InChI: InChI=1S/C62H38N2/c1-3-15-41(16-4-1)61-51-35-36-58-60(50-22-10-14-26-57(50)64(58)44-17-5-2-6-18-44)59(51)49-34-32-43(38-56(49)63-61)40-29-27-39(28-30-40)42-31-33-48-47-21-9-13-25-54(47)62(55(48)37-42)52-23-11-7-19-45(52)46-20-8-12-24-53(46)62/h1-38H
• InChIKey: WOIDJVXZRDGSGR-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.00
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene?

The IUPAC name of 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene (CID 166584451) is 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene.

What is the SMILES notation for 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene?

The canonical SMILES for 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene is c1ccc(-c2nc3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)ccc3c3c2ccc2c3c3ccccc3n2-c2ccccc2)cc1.

What is the InChIKey of 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene?

The InChIKey is WOIDJVXZRDGSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2/c1-3-15-41(16-4-1)61-51-35-36-58-60(50-22-10-14-26-57(50)64(58)44-17-5-2-6-18-44)59(51)49-34-32-43(38-56(49)63-61)40-29-27-39(28-30-40)42-31-33-48-47-21-9-13-25-54(47)62(55(48)37-42)52-23-11-7-19-45(52)46-20-8-12-24-53(46)62/h1-38H.

What are the key properties of 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene?

9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene has a molecular weight of 811.00 g/mol, XLogP of 15.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene is sourced from PubChem (CID 166584451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).