2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum

C77H61N4O2Pt-3 — CID 170671793

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 170671793) has the molecular formula C77H61N4O2Pt-3 and a molecular weight of 1279.50 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 170671793
• Molecular Formula: C77H61N4O2Pt-3
• Molecular Weight: 1279.50 g/mol
• Exact Mass: 1278.51
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(Oc5c(-c6ccccc6)c6c7c(c5-c5ccccc5)CCCC7CCC6)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C77H61N4O2.Pt/c1-77(2,3)56-45-57(79-50-80(69-40-19-18-39-68(69)79)75-61(51-23-8-4-9-24-51)34-22-35-62(75)52-25-10-5-11-26-52)47-60(46-56)82-58-41-42-64-63-33-16-17-38-67(63)81(70(64)48-58)71-49-59(43-44-78-71)83-76-73(54-27-12-6-13-28-54)65-36-20-31-53-32-21-37-66(72(53)65)74(76)55-29-14-7-15-30-55;/h4-19,22-30,33-35,38-46,49-50,53H,20-21,31-32,36-37H2,1-3H3;/q-3;/i4D,5D,8D,9D,10D,11D,23D,24D,25D,26D
• InChIKey: MDKBHIRRAJOVSX-FRMCDXQTSA-N
• XLogP: 20.49
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1279.50
LogP ≤ 5	20.49
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-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 170671793) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(Oc5c(-c6ccccc6)c6c7c(c5-c5ccccc5)CCCC7CCC6)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is MDKBHIRRAJOVSX-FRMCDXQTSA-N. The full InChI is InChI=1S/C77H61N4O2.Pt/c1-77(2,3)56-45-57(79-50-80(69-40-19-18-39-68(69)79)75-61(51-23-8-4-9-24-51)34-22-35-62(75)52-25-10-5-11-26-52)47-60(46-56)82-58-41-42-64-63-33-16-17-38-67(63)81(70(64)48-58)71-49-59(43-44-78-71)83-76-73(54-27-12-6-13-28-54)65-36-20-31-53-32-21-37-66(72(53)65)74(76)55-29-14-7-15-30-55;/h4-19,22-30,33-35,38-46,49-50,53H,20-21,31-32,36-37H2,1-3H3;/q-3;/i4D,5D,8D,9D,10D,11D,23D,24D,25D,26D;.

What are the key properties of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1279.50 g/mol, XLogP of 20.49, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170671793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).