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

C53H40N4OPt-2 — CID 171610564

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 171610564) has the molecular formula C53H40N4OPt-2 and a molecular weight of 957.09 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 171610564
• Molecular Formula: C53H40N4OPt-2
• Molecular Weight: 957.09 g/mol
• Exact Mass: 956.37
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cccc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(C(CC)CC)c1[2H].[Pt]
• InChI: InChI=1S/C53H40N4O.Pt/c1-3-37(4-2)40-31-32-54-52(33-40)57-48-26-12-11-23-46(48)47-30-29-43(35-51(47)57)58-42-22-15-21-41(34-42)55-36-56(50-28-14-13-27-49(50)55)53-44(38-17-7-5-8-18-38)24-16-25-45(53)39-19-9-6-10-20-39;/h5-33,37H,3-4H2,1-2H3;/q-2;/i5D,6D,7D,8D,9D,10D,17D,18D,19D,20D,31D,32D,33D
• InChIKey: IFQIKZNIGMNDDP-DLWRIVLJSA-N
• XLogP: 12.83
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.09
LogP ≤ 5	12.83
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 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 171610564) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cccc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(C(CC)CC)c1[2H].[Pt].

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

The InChIKey is IFQIKZNIGMNDDP-DLWRIVLJSA-N. The full InChI is InChI=1S/C53H40N4O.Pt/c1-3-37(4-2)40-31-32-54-52(33-40)57-48-26-12-11-23-46(48)47-30-29-43(35-51(47)57)58-42-22-15-21-41(34-42)55-36-56(50-28-14-13-27-49(50)55)53-44(38-17-7-5-8-18-38)24-16-25-45(53)39-19-9-6-10-20-39;/h5-33,37H,3-4H2,1-2H3;/q-2;/i5D,6D,7D,8D,9D,10D,17D,18D,19D,20D,31D,32D,33D;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 957.09 g/mol, XLogP of 12.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 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-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3,5,6-trideuterio-4-pentan-3-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).