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

C58H42N3OPt- — CID 170524307

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

2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 170524307) has the molecular formula C58H42N3OPt- and a molecular weight of 992.07 g/mol. Its IUPAC name is 2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• PubChem CID: 170524307
• Molecular Formula: C58H42N3OPt-
• Molecular Weight: 992.07 g/mol
• Exact Mass: 991.30
• IUPAC Name: 2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• SMILES: Cc1cc(-c2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3n2-c2ccccc2)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)ccc2)n1.[Pt]
• InChI: InChI=1S/C58H42N3O.Pt/c1-37-31-43(36-51(59-37)39-19-16-20-40(32-39)52-34-42(38-17-6-4-7-18-38)35-53(60-52)47-24-12-15-28-55(47)62)57-56(48-25-11-14-27-54(48)61(57)44-21-8-5-9-22-44)41-29-30-46-45-23-10-13-26-49(45)58(2,3)50(46)33-41;/h4-31,33-36,62H,1-3H3;/q-1
• InChIKey: OUOKXEPVGULQDS-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.07
LogP ≤ 5	14.54
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-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 170524307) is 2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

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

The canonical SMILES for 2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is Cc1cc(-c2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3n2-c2ccccc2)cc(-c2[c-]c(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)ccc2)n1.[Pt].

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

The InChIKey is OUOKXEPVGULQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N3O.Pt/c1-37-31-43(36-51(59-37)39-19-16-20-40(32-39)52-34-42(38-17-6-4-7-18-38)35-53(60-52)47-24-12-15-28-55(47)62)57-56(48-25-11-14-27-54(48)61(57)44-21-8-5-9-22-44)41-29-30-46-45-23-10-13-26-49(45)58(2,3)50(46)33-41;/h4-31,33-36,62H,1-3H3;/q-1;.

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

2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 992.07 g/mol, XLogP of 14.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 170524307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).