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

C66H48N6 — CID 139459524

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

14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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 139459524) has the molecular formula C66H48N6 and a molecular weight of 925.15 g/mol. Its IUPAC name is 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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: 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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: 139459524
• Molecular Formula: C66H48N6
• Molecular Weight: 925.15 g/mol
• Exact Mass: 924.39
• IUPAC Name: 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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: CC1(C)c2ccccc2N(c2c3ccccc3c(N3c4ccccc4C(C)(C)c4cc5c6ccccc6n(-c6cccnc6)c5cc43)c3ccccc23)c2cc3c(cc21)c1ccccc1n3-c1cccnc1
• InChI: InChI=1S/C66H48N6/c1-65(2)51-27-11-15-31-57(51)71(61-37-59-49(35-53(61)65)43-21-9-13-29-55(43)69(59)41-19-17-33-67-39-41)63-45-23-5-7-25-47(45)64(48-26-8-6-24-46(48)63)72-58-32-16-12-28-52(58)66(3,4)54-36-50-44-22-10-14-30-56(44)70(60(50)38-62(54)72)42-20-18-34-68-40-42/h5-40H,1-4H3
• InChIKey: YQXZKLPRVHCFPE-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 42.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.15
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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 139459524) is 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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 CC1(C)c2ccccc2N(c2c3ccccc3c(N3c4ccccc4C(C)(C)c4cc5c6ccccc6n(-c6cccnc6)c5cc43)c3ccccc23)c2cc3c(cc21)c1ccccc1n3-c1cccnc1.

What is the InChIKey of 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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 YQXZKLPRVHCFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N6/c1-65(2)51-27-11-15-31-57(51)71(61-37-59-49(35-53(61)65)43-21-9-13-29-55(43)69(59)41-19-17-33-67-39-41)63-45-23-5-7-25-47(45)64(48-26-8-6-24-46(48)63)72-58-32-16-12-28-52(58)66(3,4)54-36-50-44-22-10-14-30-56(44)70(60(50)38-62(54)72)42-20-18-34-68-40-42/h5-40H,1-4H3.

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

14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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 925.15 g/mol, XLogP of 17.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[10-(21,21-dimethyl-10-pyridin-3-yl-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]-21,21-dimethyl-10-pyridin-3-yl-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 139459524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).