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

C64H56N4OPtSi2-2 — CID 165161501

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 165161501) has the molecular formula C64H56N4OPtSi2-2 and a molecular weight of 1158.49 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 165161501
• Molecular Formula: C64H56N4OPtSi2-2
• Molecular Weight: 1158.49 g/mol
• Exact Mass: 1157.43
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-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])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4ccc5c(c4)[Si](C)(C)CC[Si]5(C)C)ccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C64H56N4OSi2.Pt/c1-64(2,3)48-34-35-65-62(40-48)68-56-27-15-14-24-54(56)55-31-30-51(42-58(55)68)69-50-23-16-22-49(41-50)66-43-67(63-52(44-18-10-8-11-19-44)25-17-26-53(63)45-20-12-9-13-21-45)57-32-28-46(38-59(57)66)47-29-33-60-61(39-47)71(6,7)37-36-70(60,4)5;/h8-35,38-40H,36-37H2,1-7H3;/q-2;/i8D,9D,10D,11D,12D,13D,18D,19D,20D,21D
• InChIKey: QQBWNBHFVSLHBV-HCJYZRPRSA-N
• XLogP: 14.73
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1158.49
LogP ≤ 5	14.73
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': 'heavy_metal', '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]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 165161501) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-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]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-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])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4ccc5c(c4)[Si](C)(C)CC[Si]5(C)C)ccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is QQBWNBHFVSLHBV-HCJYZRPRSA-N. The full InChI is InChI=1S/C64H56N4OSi2.Pt/c1-64(2,3)48-34-35-65-62(40-48)68-56-27-15-14-24-54(56)55-31-30-51(42-58(55)68)69-50-23-16-22-49(41-50)66-43-67(63-52(44-18-10-8-11-19-44)25-17-26-53(63)45-20-12-9-13-21-45)57-32-28-46(38-59(57)66)47-29-33-60-61(39-47)71(6,7)37-36-70(60,4)5;/h8-35,38-40H,36-37H2,1-7H3;/q-2;/i8D,9D,10D,11D,12D,13D,18D,19D,20D,21D;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1158.49 g/mol, XLogP of 14.73, 8 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]-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 165161501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).