5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine

C44H36N4O — CID 154610498

About 5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine

5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (PubChem CID 154610498) has the molecular formula C44H36N4O and a molecular weight of 636.80 g/mol. Its IUPAC name is 5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
• PubChem CID: 154610498
• Molecular Formula: C44H36N4O
• Molecular Weight: 636.80 g/mol
• Exact Mass: 636.29
• IUPAC Name: 5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cccc2c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc3c3nccn3c12
• InChI: InChI=1S/C44H36N4O/c1-27(2)31-12-9-13-32(28(3)4)42(31)37-15-10-14-36-33-20-18-29(25-38(33)44-46-23-24-47(44)43(36)37)49-30-19-21-35-34-11-5-6-16-39(34)48(40(35)26-30)41-17-7-8-22-45-41/h5-28H,1-4H3
• InChIKey: ZJZUOHLTLXJNQU-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.80
LogP ≤ 5	11.84
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 5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?

The IUPAC name of 5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (CID 154610498) is 5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

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

The canonical SMILES for 5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is CC(C)c1cccc(C(C)C)c1-c1cccc2c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc3c3nccn3c12.

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

The InChIKey is ZJZUOHLTLXJNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N4O/c1-27(2)31-12-9-13-32(28(3)4)42(31)37-15-10-14-36-33-20-18-29(25-38(33)44-46-23-24-47(44)43(36)37)49-30-19-21-35-34-11-5-6-16-39(34)48(40(35)26-30)41-17-7-8-22-45-41/h5-28H,1-4H3.

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

5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine has a molecular weight of 636.80 g/mol, XLogP of 11.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154610498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).