11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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

C55H32N6 — CID 58037854

About 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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

11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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 58037854) has the molecular formula C55H32N6 and a molecular weight of 776.90 g/mol. Its IUPAC name is 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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: 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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: 58037854
• Molecular Formula: C55H32N6
• Molecular Weight: 776.90 g/mol
• Exact Mass: 776.27
• IUPAC Name: 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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)nc1c3ccccc3c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-c5ccc6c7ccccc7c7nc8ccccc8n7c6c5)n4)cc3n21
• InChI: InChI=1S/C55H32N6/c1-3-17-42-36(13-1)40-27-25-33(29-52(40)60-50-23-11-7-19-44(50)57-54(42)60)46-31-35(59-48-21-9-5-15-38(48)39-16-6-10-22-49(39)59)32-47(56-46)34-26-28-41-37-14-2-4-18-43(37)55-58-45-20-8-12-24-51(45)61(55)53(41)30-34/h1-32H
• InChIKey: ZBDIIAHYKOIBHD-UHFFFAOYSA-N
• XLogP: 13.73
• TPSA: 52.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.90
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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 58037854) is 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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)nc1c3ccccc3c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-c5ccc6c7ccccc7c7nc8ccccc8n7c6c5)n4)cc3n21.

What is the InChIKey of 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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 ZBDIIAHYKOIBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N6/c1-3-17-42-36(13-1)40-27-25-33(29-52(40)60-50-23-11-7-19-44(50)57-54(42)60)46-31-35(59-48-21-9-5-15-38(48)39-16-6-10-22-49(39)59)32-47(56-46)34-26-28-41-37-14-2-4-18-43(37)55-58-45-20-8-12-24-51(45)61(55)53(41)30-34/h1-32H.

What are the key properties of 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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?

11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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 776.90 g/mol, XLogP of 13.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-carbazol-9-yl-6-(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-11-yl)-2-pyridinyl]-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 58037854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).