9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum

C56H42N5OPt-3 — CID 169066098

About 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum

9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum (PubChem CID 169066098) has the molecular formula C56H42N5OPt-3 and a molecular weight of 996.06 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum
• PubChem CID: 169066098
• Molecular Formula: C56H42N5OPt-3
• Molecular Weight: 996.06 g/mol
• Exact Mass: 995.31
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)ccc7c6-c6ccccc6C7(C)C)c6ccccc65)ccc4)ccc3c3cc(C#N)ccc32)c1.[Pt]
• InChI: InChI=1S/C56H42N5O.Pt/c1-55(2,3)38-28-29-58-52(31-38)61-48-27-22-36(34-57)30-45(48)43-24-23-41(33-51(43)61)62-40-17-13-16-39(32-40)59-35-60(50-21-12-11-20-49(50)59)54-42(37-14-7-6-8-15-37)25-26-47-53(54)44-18-9-10-19-46(44)56(47,4)5;/h6-31,35H,1-5H3;/q-3
• InChIKey: FXVHOUFARRAFDU-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 57.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.06
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum (CID 169066098) is 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)ccc7c6-c6ccccc6C7(C)C)c6ccccc65)ccc4)ccc3c3cc(C#N)ccc32)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum?

The InChIKey is FXVHOUFARRAFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N5O.Pt/c1-55(2,3)38-28-29-58-52(31-38)61-48-27-22-36(34-57)30-45(48)43-24-23-41(33-51(43)61)62-40-17-13-16-39(32-40)59-35-60(50-21-12-11-20-49(50)59)54-42(37-14-7-6-8-15-37)25-26-47-53(54)44-18-9-10-19-46(44)56(47,4)5;/h6-31,35H,1-5H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum?

9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum has a molecular weight of 996.06 g/mol, XLogP of 14.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum is sourced from PubChem (CID 169066098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).