phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium

C34H23N4O2RhS- — CID 162457843

About phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium

phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium (PubChem CID 162457843) has the molecular formula C34H23N4O2RhS- and a molecular weight of 654.56 g/mol. Its IUPAC name is phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium.

Molecular Properties

• Compound Name: phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium
• PubChem CID: 162457843
• Molecular Formula: C34H23N4O2RhS-
• Molecular Weight: 654.56 g/mol
• Exact Mass: 654.06
• IUPAC Name: phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium
• SMILES: [Rh].[S-]C(c1ccccc1)c1coc2oc(N3c4ccccc4CCc4ccc(-c5cccc6cccnc56)nc43)nc12
• InChI: InChI=1S/C34H24N4O2S.Rh/c41-31(23-9-2-1-3-10-23)26-20-39-33-30(26)37-34(40-33)38-28-14-5-4-8-21(28)15-16-24-17-18-27(36-32(24)38)25-13-6-11-22-12-7-19-35-29(22)25;/h1-14,17-20,31,41H,15-16H2;/p-1
• InChIKey: GLMUDARDVUKDPP-UHFFFAOYSA-M
• XLogP: 8.23
• TPSA: 68.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.56
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium?

The IUPAC name of phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium (CID 162457843) is phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium.

What is the SMILES notation for phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium?

The canonical SMILES for phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium is [Rh].[S-]C(c1ccccc1)c1coc2oc(N3c4ccccc4CCc4ccc(-c5cccc6cccnc56)nc43)nc12.

What is the InChIKey of phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium?

The InChIKey is GLMUDARDVUKDPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H24N4O2S.Rh/c41-31(23-9-2-1-3-10-23)26-20-39-33-30(26)37-34(40-33)38-28-14-5-4-8-21(28)15-16-24-17-18-27(36-32(24)38)25-13-6-11-22-12-7-19-35-29(22)25;/h1-14,17-20,31,41H,15-16H2;/p-1.

What are the key properties of phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium?

phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium has a molecular weight of 654.56 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for phenyl-[2-(2-quinolin-8-yl-5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)furo[3,2-d][1,3]oxazol-6-yl]methanethiolate;rhodium is sourced from PubChem (CID 162457843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).