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

C55H46N5OPt-3 — CID 168848492

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

2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 168848492) has the molecular formula C55H46N5OPt-3 and a molecular weight of 988.09 g/mol. Its IUPAC name is 2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168848492
• Molecular Formula: C55H46N5OPt-3
• Molecular Weight: 988.09 g/mol
• Exact Mass: 987.34
• IUPAC Name: 2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccn4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C55H46N5O.Pt/c1-54(2,3)39-27-29-56-51(33-39)60-47-22-14-13-21-43(47)44-26-25-42(35-50(44)60)61-52-34-41(28-30-57-52)58-36-59(49-24-16-15-23-48(49)58)53-45(37-17-9-7-10-18-37)31-40(55(4,5)6)32-46(53)38-19-11-8-12-20-38;/h7-33,36H,1-6H3;/q-3
• InChIKey: VFZASHPDIORZFU-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.09
LogP ≤ 5	14.30
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 2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168848492) is 2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccn4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is VFZASHPDIORZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N5O.Pt/c1-54(2,3)39-27-29-56-51(33-39)60-47-22-14-13-21-43(47)44-26-25-42(35-50(44)60)61-52-34-41(28-30-57-52)58-36-59(49-24-16-15-23-48(49)58)53-45(37-17-9-7-10-18-37)31-40(55(4,5)6)32-46(53)38-19-11-8-12-20-38;/h7-33,36H,1-6H3;/q-3;.

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

2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 988.09 g/mol, XLogP of 14.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-pyridin-3-id-2-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168848492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).