3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole

C41H28N4O2 — CID 140954308

About 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole

3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole (PubChem CID 140954308) has the molecular formula C41H28N4O2 and a molecular weight of 608.70 g/mol. Its IUPAC name is 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole.

Molecular Properties

• Compound Name: 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
• PubChem CID: 140954308
• Molecular Formula: C41H28N4O2
• Molecular Weight: 608.70 g/mol
• Exact Mass: 608.22
• IUPAC Name: 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
• SMILES: CC1(C)c2ccccc2Oc2c1ccc1c2c2ccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)cc2n1-c1ccccn1
• InChI: InChI=1S/C41H28N4O2/c1-41(2)31-10-4-6-12-36(31)47-39-32(41)18-19-34-38(39)29-17-15-26(24-35(29)45(34)37-13-7-8-20-42-37)46-25-14-16-27-28-9-3-5-11-33(28)44-22-21-43-40(44)30(27)23-25/h3-24H,1-2H3
• InChIKey: YPVCGFXBGPRVPR-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 53.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.70
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?

The IUPAC name of 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole (CID 140954308) is 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole.

What is the SMILES notation for 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?

The canonical SMILES for 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole is CC1(C)c2ccccc2Oc2c1ccc1c2c2ccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)cc2n1-c1ccccn1.

What is the InChIKey of 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?

The InChIKey is YPVCGFXBGPRVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O2/c1-41(2)31-10-4-6-12-36(31)47-39-32(41)18-19-34-38(39)29-17-15-26(24-35(29)45(34)37-13-7-8-20-42-37)46-25-14-16-27-28-9-3-5-11-33(28)44-22-21-43-40(44)30(27)23-25/h3-24H,1-2H3.

What are the key properties of 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?

3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole has a molecular weight of 608.70 g/mol, XLogP of 10.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole is sourced from PubChem (CID 140954308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).