2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C53H47N4OPt-3 — CID 165150169

About 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 165150169) has the molecular formula C53H47N4OPt-3 and a molecular weight of 951.06 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 165150169
• Molecular Formula: C53H47N4OPt-3
• Molecular Weight: 951.06 g/mol
• Exact Mass: 950.34
• IUPAC Name: 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C53H47N4O.Pt/c1-51(2,3)34-26-27-54-49(30-34)57-44-20-12-10-17-40(44)41-25-24-37(32-48(41)57)58-38-29-35(52(4,5)6)28-36(31-38)55-33-56(46-22-14-13-21-45(46)55)47-23-15-18-42-39-16-9-11-19-43(39)53(7,8)50(42)47;/h9-30,33H,1-8H3;/q-3
• InChIKey: VCFTZESFMNPEGM-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.06
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	0
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-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 165150169) is 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is VCFTZESFMNPEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H47N4O.Pt/c1-51(2,3)34-26-27-54-49(30-34)57-44-20-12-10-17-40(44)41-25-24-37(32-48(41)57)58-38-29-35(52(4,5)6)28-36(31-38)55-33-56(46-22-14-13-21-45(46)55)47-23-15-18-42-39-16-9-11-19-43(39)53(7,8)50(42)47;/h9-30,33H,1-8H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 951.06 g/mol, XLogP of 13.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 165150169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).