11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine

C41H30N4O — CID 154610805

About 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine

11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine (PubChem CID 154610805) has the molecular formula C41H30N4O and a molecular weight of 594.72 g/mol. Its IUPAC name is 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
• PubChem CID: 154610805
• Molecular Formula: C41H30N4O
• Molecular Weight: 594.72 g/mol
• Exact Mass: 594.24
• IUPAC Name: 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
• SMILES: Cc1cc(C)c(-c2ccc3c4ccc(Oc5ccc6c7ccccc7n(-c7ccccn7)c6c5)cc4c4nccn4c3c2)c(C)c1
• InChI: InChI=1S/C41H30N4O/c1-25-20-26(2)40(27(3)21-25)28-11-14-33-31-15-12-29(23-35(31)41-43-18-19-44(41)37(33)22-28)46-30-13-16-34-32-8-4-5-9-36(32)45(38(34)24-30)39-10-6-7-17-42-39/h4-24H,1-3H3
• InChIKey: YTSRVYMVANJPAN-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.72
LogP ≤ 5	10.52
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 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine?

The IUPAC name of 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine (CID 154610805) is 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine.

What is the SMILES notation for 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine?

The canonical SMILES for 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine is Cc1cc(C)c(-c2ccc3c4ccc(Oc5ccc6c7ccccc7n(-c7ccccn7)c6c5)cc4c4nccn4c3c2)c(C)c1.

What is the InChIKey of 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine?

The InChIKey is YTSRVYMVANJPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4O/c1-25-20-26(2)40(27(3)21-25)28-11-14-33-31-15-12-29(23-35(31)41-43-18-19-44(41)37(33)22-28)46-30-13-16-34-32-8-4-5-9-36(32)45(38(34)24-30)39-10-6-7-17-42-39/h4-24H,1-3H3.

What are the key properties of 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine?

11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine has a molecular weight of 594.72 g/mol, XLogP of 10.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154610805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).