5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

C56H32N6 — CID 58037912

About 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (PubChem CID 58037912) has the molecular formula C56H32N6 and a molecular weight of 788.91 g/mol. Its IUPAC name is 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.

Molecular Properties

• Compound Name: 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
• PubChem CID: 58037912
• Molecular Formula: C56H32N6
• Molecular Weight: 788.91 g/mol
• Exact Mass: 788.27
• IUPAC Name: 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
• SMILES: c1ccc2c(c1)nc1c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8c(c7)c7ccccc7c7nc9ccccc9n87)c6c54)cc3c3ccccc3n21
• InChI: InChI=1S/C56H32N6/c1-2-17-41-35(13-1)44-32-34(26-30-50(44)62-52-24-12-7-19-46(52)57-55(41)62)60-48-21-9-4-15-37(48)40-29-28-39-36-14-3-8-20-47(36)59(53(39)54(40)60)33-25-27-42-43(31-33)38-16-5-10-22-49(38)61-51-23-11-6-18-45(51)58-56(42)61/h1-32H
• InChIKey: KJXGSZAYNRIJMG-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 44.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.91
LogP ≤ 5	14.10
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 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?

The IUPAC name of 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (CID 58037912) is 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.

What is the SMILES notation for 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?

The canonical SMILES for 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is c1ccc2c(c1)nc1c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8c(c7)c7ccccc7c7nc9ccccc9n87)c6c54)cc3c3ccccc3n21.

What is the InChIKey of 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?

The InChIKey is KJXGSZAYNRIJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6/c1-2-17-41-35(13-1)44-32-34(26-30-50(44)62-52-24-12-7-19-46(52)57-55(41)62)60-48-21-9-4-15-37(48)40-29-28-39-36-14-3-8-20-47(36)59(53(39)54(40)60)33-25-27-42-43(31-33)38-16-5-10-22-49(38)61-51-23-11-6-18-45(51)58-56(42)61/h1-32H.

What are the key properties of 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?

5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene has a molecular weight of 788.91 g/mol, XLogP of 14.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[12-(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)indolo[2,3-a]carbazol-11-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is sourced from PubChem (CID 58037912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).