3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine

C50H32N4O — CID 154610717

About 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine

3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (PubChem CID 154610717) has the molecular formula C50H32N4O and a molecular weight of 704.83 g/mol. Its IUPAC name is 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
• PubChem CID: 154610717
• Molecular Formula: C50H32N4O
• Molecular Weight: 704.83 g/mol
• Exact Mass: 704.26
• IUPAC Name: 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
• SMILES: c1ccc(-c2ccc3c4ccc(Oc5ccc6c7ccccc7n(-c7ccccn7)c6c5)cc4c4ncc(-c5ccccc5)n4c3c2-c2ccccc2)cc1
• InChI: InChI=1S/C50H32N4O/c1-4-14-33(15-5-1)38-27-28-42-39-25-23-36(55-37-24-26-41-40-20-10-11-21-44(40)53(45(41)31-37)47-22-12-13-29-51-47)30-43(39)50-52-32-46(34-16-6-2-7-17-34)54(50)49(42)48(38)35-18-8-3-9-19-35/h1-32H
• InChIKey: DTDVMWDYBADXIV-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.83
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?

The IUPAC name of 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (CID 154610717) is 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?

The canonical SMILES for 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is c1ccc(-c2ccc3c4ccc(Oc5ccc6c7ccccc7n(-c7ccccn7)c6c5)cc4c4ncc(-c5ccccc5)n4c3c2-c2ccccc2)cc1.

What is the InChIKey of 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?

The InChIKey is DTDVMWDYBADXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O/c1-4-14-33(15-5-1)38-27-28-42-39-25-23-36(55-37-24-26-41-40-20-10-11-21-44(40)53(45(41)31-37)47-22-12-13-29-51-47)30-43(39)50-52-32-46(34-16-6-2-7-17-34)54(50)49(42)48(38)35-18-8-3-9-19-35/h1-32H.

What are the key properties of 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?

3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine has a molecular weight of 704.83 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154610717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).