2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C67H61N4OPt-3 — CID 177082830

About 2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 177082830) has the molecular formula C67H61N4OPt-3 and a molecular weight of 1136.35 g/mol. Its IUPAC name is 2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 177082830
• Molecular Formula: C67H61N4OPt-3
• Molecular Weight: 1136.35 g/mol
• Exact Mass: 1135.47
• IUPAC Name: 2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccc(-c8ccc(C(C)(C)C)cc8C(C)(C)C)cc7)cccc6-c6ccc(C(C)(C)C)cc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C67H61N4O.Pt/c1-44-37-38-68-63(39-44)71-59-22-12-11-19-56(59)57-36-34-52(42-62(57)71)72-51-18-15-17-50(41-51)69-43-70(61-24-14-13-23-60(61)69)64-54(20-16-21-55(64)47-29-31-48(32-30-47)65(2,3)4)46-27-25-45(26-28-46)53-35-33-49(66(5,6)7)40-58(53)67(8,9)10;/h11-40,43H,1-10H3;/q-3;/i1D3
• InChIKey: BONDGPDWQVBULW-NIIDSAIPSA-N
• XLogP: 18.18
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.35
LogP ≤ 5	18.18
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-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 177082830) is 2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccc(-c8ccc(C(C)(C)C)cc8C(C)(C)C)cc7)cccc6-c6ccc(C(C)(C)C)cc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is BONDGPDWQVBULW-NIIDSAIPSA-N. The full InChI is InChI=1S/C67H61N4O.Pt/c1-44-37-38-68-63(39-44)71-59-22-12-11-19-56(59)57-36-34-52(42-62(57)71)72-51-18-15-17-50(41-51)69-43-70(61-24-14-13-23-60(61)69)64-54(20-16-21-55(64)47-29-31-48(32-30-47)65(2,3)4)46-27-25-45(26-28-46)53-35-33-49(66(5,6)7)40-58(53)67(8,9)10;/h11-40,43H,1-10H3;/q-3;/i1D3;.

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

2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1136.35 g/mol, XLogP of 18.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-(4-tert-butylphenyl)-6-[4-(2,4-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177082830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).