14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C61H37N3O — CID 155246803

About 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 155246803) has the molecular formula C61H37N3O and a molecular weight of 827.99 g/mol. Its IUPAC name is 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 155246803
• Molecular Formula: C61H37N3O
• Molecular Weight: 827.99 g/mol
• Exact Mass: 827.29
• IUPAC Name: 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2c3c(cc4c(-c5cccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1
• InChI: InChI=1S/C61H37N3O/c1-2-17-38(18-3-1)58-59-48-25-4-10-27-51(48)62-61(50(59)37-57-60(58)49-26-9-15-32-56(49)65-57)40-20-16-19-39(33-40)41-34-42(63-52-28-11-5-21-44(52)45-22-6-12-29-53(45)63)36-43(35-41)64-54-30-13-7-23-46(54)47-24-8-14-31-55(47)64/h1-37H
• InChIKey: NYQQJAMGEYPARC-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 35.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.99
LogP ≤ 5	16.48
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 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 155246803) is 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2c3c(cc4c(-c5cccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1.

What is the InChIKey of 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is NYQQJAMGEYPARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O/c1-2-17-38(18-3-1)58-59-48-25-4-10-27-51(48)62-61(50(59)37-57-60(58)49-26-9-15-32-56(49)65-57)40-20-16-19-39(33-40)41-34-42(63-52-28-11-5-21-44(52)45-22-6-12-29-53(45)63)36-43(35-41)64-54-30-13-7-23-46(54)47-24-8-14-31-55(47)64/h1-37H.

What are the key properties of 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 827.99 g/mol, XLogP of 16.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 155246803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).