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

C59H38N2 — CID 122524579

About 8-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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 122524579) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 8-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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: 122524579
• Molecular Formula: C59H38N2
• Molecular Weight: 774.97 g/mol
• Exact Mass: 774.30
• IUPAC Name: 8-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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: c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc(-c6cc7c8cnccc8n(-c8ccccc8)c7c7ccccc67)cc5)cc4)ccc23)cc1
• InChI: InChI=1S/C59H38N2/c1-4-14-43(15-5-1)57-48-21-11-12-22-49(48)58(44-16-6-2-7-17-44)53-36-45(32-33-50(53)57)41-26-24-39(25-27-41)40-28-30-42(31-29-40)52-37-54-55-38-60-35-34-56(55)61(46-18-8-3-9-19-46)59(54)51-23-13-10-20-47(51)52/h1-38H
• InChIKey: ZGGNTBCZWNUQGX-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.97
LogP ≤ 5	15.97
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-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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 122524579) is 8-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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 c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc(-c6cc7c8cnccc8n(-c8ccccc8)c7c7ccccc67)cc5)cc4)ccc23)cc1.

What is the InChIKey of 8-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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 ZGGNTBCZWNUQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-4-14-43(15-5-1)57-48-21-11-12-22-49(48)58(44-16-6-2-7-17-44)53-36-45(32-33-50(53)57)41-26-24-39(25-27-41)40-28-30-42(31-29-40)52-37-54-55-38-60-35-34-56(55)61(46-18-8-3-9-19-46)59(54)51-23-13-10-20-47(51)52/h1-38H.

What are the key properties of 8-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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 774.97 g/mol, XLogP of 15.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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 122524579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).