8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C56H38N2 — CID 122524566

About 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 122524566) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

• Compound Name: 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
• PubChem CID: 122524566
• Molecular Formula: C56H38N2
• Molecular Weight: 738.93 g/mol
• Exact Mass: 738.30
• IUPAC Name: 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccc(-c5cc6c7cnccc7n(-c7ccccc7)c6c6ccccc56)cc34)cc21
• InChI: InChI=1S/C56H38N2/c1-56(2)50-24-14-13-20-40(50)41-27-26-37(32-51(41)56)54-43-22-11-10-21-42(43)53(35-15-5-3-6-16-35)44-28-25-36(31-47(44)54)46-33-48-49-34-57-30-29-52(49)58(38-17-7-4-8-18-38)55(48)45-23-12-9-19-39(45)46/h3-34H,1-2H3
• InChIKey: YMSWIUULWUMIJM-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.93
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

The IUPAC name of 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 122524566) is 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

What is the SMILES notation for 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

The canonical SMILES for 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccc(-c5cc6c7cnccc7n(-c7ccccc7)c6c6ccccc56)cc34)cc21.

What is the InChIKey of 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

The InChIKey is YMSWIUULWUMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-56(2)50-24-14-13-20-40(50)41-27-26-37(32-51(41)56)54-43-22-11-10-21-42(43)53(35-15-5-3-6-16-35)44-28-25-36(31-47(44)54)46-33-48-49-34-57-30-29-52(49)58(38-17-7-4-8-18-38)55(48)45-23-12-9-19-39(45)46/h3-34H,1-2H3.

What are the key properties of 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 738.93 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 122524566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).