9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C49H40N4OPt — CID 162449103

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 162449103) has the molecular formula C49H40N4OPt and a molecular weight of 895.96 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 162449103
• Molecular Formula: C49H40N4OPt
• Molecular Weight: 895.96 g/mol
• Exact Mass: 895.29
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5nc6cccc(C(C)(C)c7ccccc7)c6n5-c5ccccc5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C49H40N4O.Pt/c1-48(2,3)35-28-29-50-45(31-35)53-43-25-13-12-22-39(43)40-27-26-38(32-44(40)53)54-37-21-14-16-33(30-37)47-51-42-24-15-23-41(49(4,5)34-17-8-6-9-18-34)46(42)52(47)36-19-10-7-11-20-36;/h6-29,31H,1-5H3;/q-2;+2
• InChIKey: OFPKTEIPHCNXSI-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.96
LogP ≤ 5	12.20
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 162449103) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5nc6cccc(C(C)(C)c7ccccc7)c6n5-c5ccccc5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is OFPKTEIPHCNXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N4O.Pt/c1-48(2,3)35-28-29-50-45(31-35)53-43-25-13-12-22-39(43)40-27-26-38(32-44(40)53)54-37-21-14-16-33(30-37)47-51-42-24-15-23-41(49(4,5)34-17-8-6-9-18-34)46(42)52(47)36-19-10-7-11-20-36;/h6-29,31H,1-5H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 895.96 g/mol, XLogP of 12.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 162449103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).