2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

C45H32N3OPt- — CID 169318258

About 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 169318258) has the molecular formula C45H32N3OPt- and a molecular weight of 825.85 g/mol. Its IUPAC name is 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• PubChem CID: 169318258
• Molecular Formula: C45H32N3OPt-
• Molecular Weight: 825.85 g/mol
• Exact Mass: 825.22
• IUPAC Name: 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c(-c4[c-]c(-c5cc(-c6ccccc6)cc(-c6ccccc6O)n5)ccc4)nc4ccccn34)cc21.[Pt]
• InChI: InChI=1S/C45H32N3O.Pt/c1-45(2)37-19-8-6-17-34(37)35-23-22-32(26-38(35)45)44-43(47-42-21-10-11-24-48(42)44)31-16-12-15-30(25-31)39-27-33(29-13-4-3-5-14-29)28-40(46-39)36-18-7-9-20-41(36)49;/h3-24,26-28,49H,1-2H3;/q-1
• InChIKey: SUZIPQQOJGSZBJ-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 50.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.85
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 169318258) is 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is CC1(C)c2ccccc2-c2ccc(-c3c(-c4[c-]c(-c5cc(-c6ccccc6)cc(-c6ccccc6O)n5)ccc4)nc4ccccn34)cc21.[Pt].

What is the InChIKey of 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The InChIKey is SUZIPQQOJGSZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N3O.Pt/c1-45(2)37-19-8-6-17-34(37)35-23-22-32(26-38(35)45)44-43(47-42-21-10-11-24-48(42)44)31-16-12-15-30(25-31)39-27-33(29-13-4-3-5-14-29)28-40(46-39)36-18-7-9-20-41(36)49;/h3-24,26-28,49H,1-2H3;/q-1;.

What are the key properties of 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 825.85 g/mol, XLogP of 10.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 169318258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).