11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene

C68H44N4 — CID 121340685

About 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene

11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene (PubChem CID 121340685) has the molecular formula C68H44N4 and a molecular weight of 917.13 g/mol. Its IUPAC name is 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene.

Molecular Properties

• Compound Name: 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
• PubChem CID: 121340685
• Molecular Formula: C68H44N4
• Molecular Weight: 917.13 g/mol
• Exact Mass: 916.36
• IUPAC Name: 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5c5cc6c(cc5c4c3)c3cc(-c4ccccc4)ccc3n6-c3cc(-c4cccc5cccnc45)nc(-c4cccc5cccnc45)c3)ccc21
• InChI: InChI=1S/C68H44N4/c1-68(2)60-25-9-8-22-51(60)57-35-46(27-30-61(57)68)45-26-29-50-48-20-6-7-21-49(48)56-40-65-59(39-55(56)54(50)34-45)58-36-44(41-14-4-3-5-15-41)28-31-64(58)72(65)47-37-62(52-23-10-16-42-18-12-32-69-66(42)52)71-63(38-47)53-24-11-17-43-19-13-33-70-67(43)53/h3-40H,1-2H3
• InChIKey: RQPFLYSCKQIJTF-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.13
LogP ≤ 5	17.71
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 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene?

The IUPAC name of 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene (CID 121340685) is 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene.

What is the SMILES notation for 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene?

The canonical SMILES for 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene is CC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5c5cc6c(cc5c4c3)c3cc(-c4ccccc4)ccc3n6-c3cc(-c4cccc5cccnc45)nc(-c4cccc5cccnc45)c3)ccc21.

What is the InChIKey of 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene?

The InChIKey is RQPFLYSCKQIJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4/c1-68(2)60-25-9-8-22-51(60)57-35-46(27-30-61(57)68)45-26-29-50-48-20-6-7-21-49(48)56-40-65-59(39-55(56)54(50)34-45)58-36-44(41-14-4-3-5-15-41)28-31-64(58)72(65)47-37-62(52-23-10-16-42-18-12-32-69-66(42)52)71-63(38-47)53-24-11-17-43-19-13-33-70-67(43)53/h3-40H,1-2H3.

What are the key properties of 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene?

11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene has a molecular weight of 917.13 g/mol, XLogP of 17.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(9,9-dimethylfluoren-3-yl)-23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene is sourced from PubChem (CID 121340685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).