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

C47H32N3OPt- — CID 176614283

About 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 176614283) has the molecular formula C47H32N3OPt- and a molecular weight of 849.87 g/mol. Its IUPAC name is 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 176614283
• Molecular Formula: C47H32N3OPt-
• Molecular Weight: 849.87 g/mol
• Exact Mass: 849.22
• IUPAC Name: 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: Cc1ccc(-c2cc(-c3ccccc3)cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)ccc3)n2)c(O)c1.[Pt]
• InChI: InChI=1S/C47H32N3O.Pt/c1-31-22-23-41(46(51)26-31)44-30-36(32-12-4-2-5-13-32)29-43(49-44)35-15-10-14-34(27-35)42-28-33(24-25-48-42)38-19-11-20-40-39-18-8-9-21-45(39)50(47(38)40)37-16-6-3-7-17-37;/h2-26,28-30,51H,1H3;/q-1
• InChIKey: BFFBCUBWMLRMGW-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.87
LogP ≤ 5	11.72
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 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 176614283) is 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is Cc1ccc(-c2cc(-c3ccccc3)cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)ccc3)n2)c(O)c1.[Pt].

What is the InChIKey of 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is BFFBCUBWMLRMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N3O.Pt/c1-31-22-23-41(46(51)26-31)44-30-36(32-12-4-2-5-13-32)29-43(49-44)35-15-10-14-34(27-35)42-28-33(24-25-48-42)38-19-11-20-40-39-18-8-9-21-45(39)50(47(38)40)37-16-6-3-7-17-37;/h2-26,28-30,51H,1H3;/q-1;.

What are the key properties of 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 849.87 g/mol, XLogP of 11.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 176614283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).