10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene

C63H36N4 — CID 58037931

About 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene

10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene (PubChem CID 58037931) has the molecular formula C63H36N4 and a molecular weight of 849.01 g/mol. Its IUPAC name is 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene.

Molecular Properties

• Compound Name: 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
• PubChem CID: 58037931
• Molecular Formula: C63H36N4
• Molecular Weight: 849.01 g/mol
• Exact Mass: 848.29
• IUPAC Name: 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
• SMILES: c1ccc2c(c1)-c1ccc(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)cc1C21c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)cc21
• InChI: InChI=1S/C63H36N4/c1-3-17-47-41(13-1)49-33-37(27-31-57(49)66-59-23-11-9-21-55(59)64-61(47)66)39-25-29-45-43-15-5-7-19-51(43)63(53(45)35-39)52-20-8-6-16-44(52)46-30-26-40(36-54(46)63)38-28-32-58-50(34-38)42-14-2-4-18-48(42)62-65-56-22-10-12-24-60(56)67(58)62/h1-36H
• InChIKey: JULIOUPQWJUMSB-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.01
LogP ≤ 5	15.58
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 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?

The IUPAC name of 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene (CID 58037931) is 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene.

What is the SMILES notation for 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?

The canonical SMILES for 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene is c1ccc2c(c1)-c1ccc(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)cc1C21c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)cc21.

What is the InChIKey of 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?

The InChIKey is JULIOUPQWJUMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H36N4/c1-3-17-47-41(13-1)49-33-37(27-31-57(49)66-59-23-11-9-21-55(59)64-61(47)66)39-25-29-45-43-15-5-7-19-51(43)63(53(45)35-39)52-20-8-6-16-44(52)46-30-26-40(36-54(46)63)38-28-32-58-50(34-38)42-14-2-4-18-48(42)62-65-56-22-10-12-24-60(56)67(58)62/h1-36H.

What are the key properties of 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?

10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene has a molecular weight of 849.01 g/mol, XLogP of 15.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2'-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-9,9'-spirobi[fluorene]-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene is sourced from PubChem (CID 58037931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).