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

C82H58N4OPt-2 — CID 171428401

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 171428401) has the molecular formula C82H58N4OPt-2 and a molecular weight of 1341.66 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 171428401
• Molecular Formula: C82H58N4OPt-2
• Molecular Weight: 1341.66 g/mol
• Exact Mass: 1340.62
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(-c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C82H58N4O.Pt/c1-82(2,3)68-42-43-83-80(52-68)86-76-37-20-19-36-72(76)73-41-40-71(54-79(73)86)87-70-35-23-34-69(53-70)84-55-85(78-39-22-21-38-77(78)84)81-74(66-46-61(56-24-9-4-10-25-56)44-62(47-66)57-26-11-5-12-27-57)50-65(60-32-17-8-18-33-60)51-75(81)67-48-63(58-28-13-6-14-29-58)45-64(49-67)59-30-15-7-16-31-59;/h4-52H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,44D,45D,46D,47D,48D,49D
• InChIKey: AYVFIEKAQLWPPE-IHGRDSAYSA-N
• XLogP: 20.56
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1341.66
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 171428401) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(-c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c2)c([2H])c1[2H].[Pt].

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

The InChIKey is AYVFIEKAQLWPPE-IHGRDSAYSA-N. The full InChI is InChI=1S/C82H58N4O.Pt/c1-82(2,3)68-42-43-83-80(52-68)86-76-37-20-19-36-72(76)73-41-40-71(54-79(73)86)87-70-35-23-34-69(53-70)84-55-85(78-39-22-21-38-77(78)84)81-74(66-46-61(56-24-9-4-10-25-56)44-62(47-66)57-26-11-5-12-27-57)50-65(60-32-17-8-18-33-60)51-75(81)67-48-63(58-28-13-6-14-29-58)45-64(49-67)59-30-15-7-16-31-59;/h4-52H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,44D,45D,46D,47D,48D,49D;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1341.66 g/mol, XLogP of 20.56, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171428401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).