6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

C56H33N3O — CID 162694325

About 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (PubChem CID 162694325) has the molecular formula C56H33N3O and a molecular weight of 763.90 g/mol. Its IUPAC name is 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• PubChem CID: 162694325
• Molecular Formula: C56H33N3O
• Molecular Weight: 763.90 g/mol
• Exact Mass: 763.26
• IUPAC Name: 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccc7c(-c8ccccc8)nc8ccccc8c7c5O6)nc4c3n2)cc1
• InChI: InChI=1S/C56H33N3O/c1-3-13-34(14-4-1)47-30-25-36-23-24-37-26-31-48(58-54(37)53(36)57-47)38-27-32-50-46(33-38)56(43-20-10-7-17-39(43)40-18-8-11-21-44(40)56)45-29-28-42-51(55(45)60-50)41-19-9-12-22-49(41)59-52(42)35-15-5-2-6-16-35/h1-33H
• InChIKey: IRKQPTZYRKJYBX-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.90
LogP ≤ 5	13.95
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 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The IUPAC name of 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (CID 162694325) is 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

What is the SMILES notation for 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The canonical SMILES for 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccc7c(-c8ccccc8)nc8ccccc8c7c5O6)nc4c3n2)cc1.

What is the InChIKey of 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The InChIKey is IRKQPTZYRKJYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3O/c1-3-13-34(14-4-1)47-30-25-36-23-24-37-26-31-48(58-54(37)53(36)57-47)38-27-32-50-46(33-38)56(43-20-10-7-17-39(43)40-18-8-11-21-44(40)56)45-29-28-42-51(55(45)60-50)41-19-9-12-22-49(41)59-52(42)35-15-5-2-6-16-35/h1-33H.

What are the key properties of 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] has a molecular weight of 763.90 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is sourced from PubChem (CID 162694325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).