2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C58H43N4OPt-3 — CID 153490729

About 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 153490729) has the molecular formula C58H43N4OPt-3 and a molecular weight of 1022.18 g/mol. Its IUPAC name is 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 153490729
• Molecular Formula: C58H43N4OPt-3
• Molecular Weight: 1022.18 g/mol
• Exact Mass: 1021.40
• IUPAC Name: 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc(N3[CH-]N(c4c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cccc4-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4ccccc43)[c-]c2Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C58H43N4O.Pt/c1-58(2,3)43-34-35-59-56(36-43)62-51-27-14-13-24-49(51)50-33-31-45(38-54(50)62)63-55-37-44(30-32-46(55)40-18-7-4-8-19-40)60-39-61(53-29-16-15-28-52(53)60)57-47(41-20-9-5-10-21-41)25-17-26-48(57)42-22-11-6-12-23-42;/h4-36,39H,1-3H3;/q-3;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,18D,19D,20D,21D,22D,23D
• InChIKey: LCMAEZYFAIBTOB-UCRGSOORSA-N
• XLogP: 15.28
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.18
LogP ≤ 5	15.28
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-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 153490729) is 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2ccc(N3[CH-]N(c4c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cccc4-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4ccccc43)[c-]c2Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c([2H])c1[2H].[Pt].

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

The InChIKey is LCMAEZYFAIBTOB-UCRGSOORSA-N. The full InChI is InChI=1S/C58H43N4O.Pt/c1-58(2,3)43-34-35-59-56(36-43)62-51-27-14-13-24-49(51)50-33-31-45(38-54(50)62)63-55-37-44(30-32-46(55)40-18-7-4-8-19-40)60-39-61(53-29-16-15-28-52(53)60)57-47(41-20-9-5-10-21-41)25-17-26-48(57)42-22-11-6-12-23-42;/h4-36,39H,1-3H3;/q-3;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,18D,19D,20D,21D,22D,23D;.

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

2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1022.18 g/mol, XLogP of 15.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153490729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).