10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C60H36N6O2 — CID 139459657

About 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 139459657) has the molecular formula C60H36N6O2 and a molecular weight of 872.99 g/mol. Its IUPAC name is 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 139459657
• Molecular Formula: C60H36N6O2
• Molecular Weight: 872.99 g/mol
• Exact Mass: 872.29
• IUPAC Name: 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: c1cncc(-n2c3ccccc3c3cc4c(cc32)N(c2c3ccccc3c(N3c5ccccc5Oc5cc6c7ccccc7n(-c7cccnc7)c6cc53)c3ccccc23)c2ccccc2O4)c1
• InChI: InChI=1S/C60H36N6O2/c1-2-20-42-41(19-1)59(65-49-25-9-11-27-55(49)67-57-31-45-39-17-5-7-23-47(39)63(51(45)33-53(57)65)37-15-13-29-61-35-37)43-21-3-4-22-44(43)60(42)66-50-26-10-12-28-56(50)68-58-32-46-40-18-6-8-24-48(40)64(52(46)34-54(58)66)38-16-14-30-62-36-38/h1-36H
• InChIKey: HDSFRQIFIIIGFO-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 60.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.99
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 139459657) is 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1cncc(-n2c3ccccc3c3cc4c(cc32)N(c2c3ccccc3c(N3c5ccccc5Oc5cc6c7ccccc7n(-c7cccnc7)c6cc53)c3ccccc23)c2ccccc2O4)c1.

What is the InChIKey of 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is HDSFRQIFIIIGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6O2/c1-2-20-42-41(19-1)59(65-49-25-9-11-27-55(49)67-57-31-45-39-17-5-7-23-47(39)63(51(45)33-53(57)65)37-15-13-29-61-35-37)43-21-3-4-22-44(43)60(42)66-50-26-10-12-28-56(50)68-58-32-46-40-18-6-8-24-48(40)64(52(46)34-54(58)66)38-16-14-30-62-36-38/h1-36H.

What are the key properties of 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 872.99 g/mol, XLogP of 16.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-pyridin-3-yl-14-[10-(10-pyridin-3-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 139459657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).