2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum

C70H65N4OPt-3 — CID 176756879

About 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum

2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (PubChem CID 176756879) has the molecular formula C70H65N4OPt-3 and a molecular weight of 1177.42 g/mol. Its IUPAC name is 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• PubChem CID: 176756879
• Molecular Formula: C70H65N4OPt-3
• Molecular Weight: 1177.42 g/mol
• Exact Mass: 1176.51
• IUPAC Name: 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6cc(-c7ccccc7)cc(C(C)(C)C)c6)cccc5-c5ccc6c(c5)C(C)(C)CCC6(C)C)c5ccccc54)ccc3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt]
• InChI: InChI=1S/C70H65N4O.Pt/c1-67(2,3)50-34-37-71-65(42-50)74-61-27-15-14-24-57(61)58-32-31-54(44-64(58)74)75-53-23-18-22-52(43-53)72-45-73(63-29-17-16-28-62(63)72)66-55(47-30-33-59-60(41-47)70(9,10)36-35-69(59,7)8)25-19-26-56(66)49-38-48(46-20-12-11-13-21-46)39-51(40-49)68(4,5)6;/h11-34,37-42,45H,35-36H2,1-10H3;/q-3;/i14D,15D,24D,27D
• InChIKey: GKCTXLSPPAUWME-OETQHMBKSA-N
• XLogP: 18.92
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1177.42
LogP ≤ 5	18.92
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-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (CID 176756879) is 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6cc(-c7ccccc7)cc(C(C)(C)C)c6)cccc5-c5ccc6c(c5)C(C)(C)CCC6(C)C)c5ccccc54)ccc3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt].

What is the InChIKey of 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The InChIKey is GKCTXLSPPAUWME-OETQHMBKSA-N. The full InChI is InChI=1S/C70H65N4O.Pt/c1-67(2,3)50-34-37-71-65(42-50)74-61-27-15-14-24-57(61)58-32-31-54(44-64(58)74)75-53-23-18-22-52(43-53)72-45-73(63-29-17-16-28-62(63)72)66-55(47-30-33-59-60(41-47)70(9,10)36-35-69(59,7)8)25-19-26-56(66)49-38-48(46-20-12-11-13-21-46)39-51(40-49)68(4,5)6;/h11-34,37-42,45H,35-36H2,1-10H3;/q-3;/i14D,15D,24D,27D;.

What are the key properties of 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum has a molecular weight of 1177.42 g/mol, XLogP of 18.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176756879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).