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

C48H36N4O — CID 154611519

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

3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (PubChem CID 154611519) has the molecular formula C48H36N4O and a molecular weight of 684.84 g/mol. Its IUPAC name is 3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
• PubChem CID: 154611519
• Molecular Formula: C48H36N4O
• Molecular Weight: 684.84 g/mol
• Exact Mass: 684.29
• IUPAC Name: 3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
• SMILES: Cc1cccc(C)c1-c1ccc2c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc3c3ncc(-c4c(C)cccc4C)n3c2c1
• InChI: InChI=1S/C48H36N4O/c1-29-11-9-12-30(2)46(29)33-18-21-38-36-22-19-34(26-40(36)48-50-28-44(52(48)42(38)25-33)47-31(3)13-10-14-32(47)4)53-35-20-23-39-37-15-5-6-16-41(37)51(43(39)27-35)45-17-7-8-24-49-45/h5-28H,1-4H3
• InChIKey: UOFCDPUGLHMZAL-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.84
LogP ≤ 5	12.49
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-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?

The IUPAC name of 3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (CID 154611519) is 3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

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

The canonical SMILES for 3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is Cc1cccc(C)c1-c1ccc2c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc3c3ncc(-c4c(C)cccc4C)n3c2c1.

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

The InChIKey is UOFCDPUGLHMZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O/c1-29-11-9-12-30(2)46(29)33-18-21-38-36-22-19-34(26-40(36)48-50-28-44(52(48)42(38)25-33)47-31(3)13-10-14-32(47)4)53-35-20-23-39-37-15-5-6-16-41(37)51(43(39)27-35)45-17-7-8-24-49-45/h5-28H,1-4H3.

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

3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine has a molecular weight of 684.84 g/mol, XLogP of 12.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154611519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).