2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C49H33N4OPt- — CID 177093762

About 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 177093762) has the molecular formula C49H33N4OPt- and a molecular weight of 888.91 g/mol. Its IUPAC name is 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177093762
• Molecular Formula: C49H33N4OPt-
• Molecular Weight: 888.91 g/mol
• Exact Mass: 888.23
• IUPAC Name: 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)ccn4)ccc3)cccc21.[Pt]
• InChI: InChI=1S/C49H33N4O.Pt/c1-52-45-25-12-21-38(47(45)51-49(52)42-20-6-8-26-46(42)54)34-16-9-17-36(29-34)43-31-35(27-28-50-43)39-22-11-23-41-40-19-5-7-24-44(40)53(48(39)41)37-18-10-15-33(30-37)32-13-3-2-4-14-32;/h2-28,30-31,54H,1H3;/q-1
• InChIKey: ZUEYVISQZBPNGY-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.91
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 177093762) is 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)ccn4)ccc3)cccc21.[Pt].

What is the InChIKey of 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is ZUEYVISQZBPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N4O.Pt/c1-52-45-25-12-21-38(47(45)51-49(52)42-20-6-8-26-46(42)54)34-16-9-17-36(29-34)43-31-35(27-28-50-43)39-22-11-23-41-40-19-5-7-24-44(40)53(48(39)41)37-18-10-15-33(30-37)32-13-3-2-4-14-32;/h2-28,30-31,54H,1H3;/q-1;.

What are the key properties of 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 888.91 g/mol, XLogP of 11.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177093762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).