1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum

C52H39N4OPt- — CID 162465465

About 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum

1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum (PubChem CID 162465465) has the molecular formula C52H39N4OPt- and a molecular weight of 930.99 g/mol. Its IUPAC name is 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum.

Molecular Properties

• Compound Name: 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum
• PubChem CID: 162465465
• Molecular Formula: C52H39N4OPt-
• Molecular Weight: 930.99 g/mol
• Exact Mass: 930.28
• IUPAC Name: 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum
• SMILES: Cc1ccccc1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(C(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C52H38N4O.Pt/c1-34(2)55-48-25-12-13-26-49(48)56(57-55)39-17-14-16-37(32-39)52(45-22-9-6-19-41(45)42-20-7-10-23-46(42)52)38-27-28-44-43-21-8-11-24-47(43)54(50(44)33-38)51-31-36(29-30-53-51)40-18-5-4-15-35(40)3;/h4-31,34H,1-3H3;/q-2;/p+1
• InChIKey: VICIEHPZTFHEPT-UHFFFAOYSA-O
• XLogP: 12.32
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.99
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum?

The IUPAC name of 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum (CID 162465465) is 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum.

What is the SMILES notation for 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum?

The canonical SMILES for 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum is Cc1ccccc1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(C(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum?

The InChIKey is VICIEHPZTFHEPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C52H38N4O.Pt/c1-34(2)55-48-25-12-13-26-49(48)56(57-55)39-17-14-16-37(32-39)52(45-22-9-6-19-41(45)42-20-7-10-23-46(42)52)38-27-28-44-43-21-8-11-24-47(43)54(50(44)33-38)51-31-36(29-30-53-51)40-18-5-4-15-35(40)3;/h4-31,34H,1-3H3;/q-2;/p+1.

What are the key properties of 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum?

1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum has a molecular weight of 930.99 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[9-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum is sourced from PubChem (CID 162465465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).