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

C69H48N6OPt-2 — CID 162446612

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum (PubChem CID 162446612) has the molecular formula C69H48N6OPt-2 and a molecular weight of 1182.32 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 162446612
• Molecular Formula: C69H48N6OPt-2
• Molecular Weight: 1182.32 g/mol
• Exact Mass: 1181.42
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4-n4c6ccccc6c6ccccc64)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(-c4cccnc4)cc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C69H48N6O.Pt/c1-69(2,3)50-36-38-71-67(40-50)75-61-33-15-12-28-57(61)58-42-65(74-59-31-13-10-26-55(59)56-27-11-14-32-60(56)74)66(43-63(58)75)76-52-25-16-24-51(41-52)72-45-73(64-39-48(34-35-62(64)72)49-23-18-37-70-44-49)68-53(46-19-6-4-7-20-46)29-17-30-54(68)47-21-8-5-9-22-47;/h4-40,42,44H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,19D,20D,21D,22D
• InChIKey: KRYNIVYPQBBSME-CFRWEKGKSA-N
• XLogP: 16.38
• TPSA: 53.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1182.32
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum (CID 162446612) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4-n4c6ccccc6c6ccccc64)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(-c4cccnc4)cc32)c([2H])c1[2H].[Pt].

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

The InChIKey is KRYNIVYPQBBSME-CFRWEKGKSA-N. The full InChI is InChI=1S/C69H48N6O.Pt/c1-69(2,3)50-36-38-71-67(40-50)75-61-33-15-12-28-57(61)58-42-65(74-59-31-13-10-26-55(59)56-27-11-14-32-60(56)74)66(43-63(58)75)76-52-25-16-24-51(41-52)72-45-73(64-39-48(34-35-62(64)72)49-23-18-37-70-44-49)68-53(46-19-6-4-7-20-46)29-17-30-54(68)47-21-8-5-9-22-47;/h4-40,42,44H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,19D,20D,21D,22D;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1182.32 g/mol, XLogP of 16.38, 9 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]-5-pyridin-3-yl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162446612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).