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

C44H28N4O — CID 154611603

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

3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (PubChem CID 154611603) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
• PubChem CID: 154611603
• Molecular Formula: C44H28N4O
• Molecular Weight: 628.74 g/mol
• Exact Mass: 628.23
• IUPAC Name: 3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
• SMILES: c1ccc(-c2ccc3c4ccc(Oc5ccc6c7ccccc7n(-c7ccccn7)c6c5)cc4c4ncc(-c5ccccc5)n4c3c2)cc1
• InChI: InChI=1S/C44H28N4O/c1-3-11-29(12-4-1)31-18-21-36-34-22-19-32(26-38(34)44-46-28-42(48(44)40(36)25-31)30-13-5-2-6-14-30)49-33-20-23-37-35-15-7-8-16-39(35)47(41(37)27-33)43-17-9-10-24-45-43/h1-28H
• InChIKey: JYXCJRGSBMEZKX-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.74
LogP ≤ 5	11.26
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 3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?

The IUPAC name of 3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (CID 154611603) is 3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

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

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

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

The InChIKey is JYXCJRGSBMEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-3-11-29(12-4-1)31-18-21-36-34-22-19-32(26-38(34)44-46-28-42(48(44)40(36)25-31)30-13-5-2-6-14-30)49-33-20-23-37-35-15-7-8-16-39(35)47(41(37)27-33)43-17-9-10-24-45-43/h1-28H.

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

3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine has a molecular weight of 628.74 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154611603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).