2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum

C85H85N4OPt-3 — CID 177133348

About 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum

2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 177133348) has the molecular formula C85H85N4OPt-3 and a molecular weight of 1376.74 g/mol. Its IUPAC name is 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 177133348
• Molecular Formula: C85H85N4OPt-3
• Molecular Weight: 1376.74 g/mol
• Exact Mass: 1375.66
• IUPAC Name: 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cccc(C(C)(C)C)c7)cccc6-c6ccccc6C(C)(C)C)c6ccccc65)ccc4)ccc3c3c(-c4ccccc4)cccc32)ncc1-c1c2c(cc3c1C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C.[Pt]
• InChI: InChI=1S/C85H85N4O.Pt/c1-54-47-74(86-52-66(54)76-77-68(82(8,9)43-45-84(77,12)13)51-69-78(76)85(14,15)46-44-83(69,10)11)89-72-40-26-34-61(55-27-17-16-18-28-55)75(72)65-42-41-60(50-73(65)89)90-59-32-24-31-58(49-59)87-53-88(71-39-22-21-38-70(71)87)79-62(56-29-23-30-57(48-56)80(2,3)4)35-25-36-64(79)63-33-19-20-37-67(63)81(5,6)7;/h16-42,47-48,51-53H,43-46H2,1-15H3;/q-3;/i1D3
• InChIKey: XTIQAKWJXQPXER-NIIDSAIPSA-N
• XLogP: 23.25
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1376.74
LogP ≤ 5	23.25
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-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum (CID 177133348) is 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cccc(C(C)(C)C)c7)cccc6-c6ccccc6C(C)(C)C)c6ccccc65)ccc4)ccc3c3c(-c4ccccc4)cccc32)ncc1-c1c2c(cc3c1C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C.[Pt].

What is the InChIKey of 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum?

The InChIKey is XTIQAKWJXQPXER-NIIDSAIPSA-N. The full InChI is InChI=1S/C85H85N4O.Pt/c1-54-47-74(86-52-66(54)76-77-68(82(8,9)43-45-84(77,12)13)51-69-78(76)85(14,15)46-44-83(69,10)11)89-72-40-26-34-61(55-27-17-16-18-28-55)75(72)65-42-41-60(50-73(65)89)90-59-32-24-31-58(49-59)87-53-88(71-39-22-21-38-70(71)87)79-62(56-29-23-30-57(48-56)80(2,3)4)35-25-36-64(79)63-33-19-20-37-67(63)81(5,6)7;/h16-42,47-48,51-53H,43-46H2,1-15H3;/q-3;/i1D3;.

What are the key properties of 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum?

2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1376.74 g/mol, XLogP of 23.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177133348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).