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-[2,6-di(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum

C64H55N4O2Pt-3 — CID 170671853

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-[2,6-di(propan-2-yl)phenoxy]-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-[2,6-di(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 170671853) has the molecular formula C64H55N4O2Pt-3 and a molecular weight of 1117.31 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-[2,6-di(propan-2-yl)phenoxy]-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-[2,6-di(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 170671853
• Molecular Formula: C64H55N4O2Pt-3
• Molecular Weight: 1117.31 g/mol
• Exact Mass: 1116.46
• 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-[2,6-di(propan-2-yl)phenoxy]-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(C(C)C)cccc5C(C)C)ccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C64H55N4O2.Pt/c1-42(2)51-25-18-26-52(43(3)4)63(51)70-49-34-35-65-61(40-49)68-57-29-15-14-24-55(57)56-33-32-48(39-60(56)68)69-50-37-46(64(5,6)7)36-47(38-50)66-41-67(59-31-17-16-30-58(59)66)62-53(44-20-10-8-11-21-44)27-19-28-54(62)45-22-12-9-13-23-45;/h8-37,40-43H,1-7H3;/q-3;/i8D,9D,10D,11D,12D,13D,20D,21D,22D,23D
• InChIKey: GLMISSZGBQFETL-JUJXCOGVSA-N
• XLogP: 17.65
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1117.31
LogP ≤ 5	17.65
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-[2,6-di(propan-2-yl)phenoxy]-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-[2,6-di(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 170671853) 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-[2,6-di(propan-2-yl)phenoxy]-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-[2,6-di(propan-2-yl)phenoxy]-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-[2,6-di(propan-2-yl)phenoxy]-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(C(C)C)cccc5C(C)C)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-[2,6-di(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is GLMISSZGBQFETL-JUJXCOGVSA-N. The full InChI is InChI=1S/C64H55N4O2.Pt/c1-42(2)51-25-18-26-52(43(3)4)63(51)70-49-34-35-65-61(40-49)68-57-29-15-14-24-55(57)56-33-32-48(39-60(56)68)69-50-37-46(64(5,6)7)36-47(38-50)66-41-67(59-31-17-16-30-58(59)66)62-53(44-20-10-8-11-21-44)27-19-28-54(62)45-22-12-9-13-23-45;/h8-37,40-43H,1-7H3;/q-3;/i8D,9D,10D,11D,12D,13D,20D,21D,22D,23D;.

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-[2,6-di(propan-2-yl)phenoxy]-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-[2,6-di(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1117.31 g/mol, XLogP of 17.65, 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-[2,6-di(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170671853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).