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

C72H47N4O2Pt-3 — CID 170671598

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

9-[4-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-ide;platinum (PubChem CID 170671598) has the molecular formula C72H47N4O2Pt-3 and a molecular weight of 1220.42 g/mol. Its IUPAC name is 9-[4-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 170671598
• Molecular Formula: C72H47N4O2Pt-3
• Molecular Weight: 1220.42 g/mol
• Exact Mass: 1219.49
• IUPAC Name: 9-[4-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccc(Oc4[c-]c(N5[CH-]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)[c-]c2n3-c2cc(Oc3c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cccc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])ccn2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C72H47N4O2.Pt/c1-6-21-50(22-7-1)55-39-42-66-65(45-55)64-41-40-58(47-69(64)76(66)70-48-59(43-44-73-70)78-72-62(53-27-12-4-13-28-53)35-20-36-63(72)54-29-14-5-15-30-54)77-57-32-18-31-56(46-57)74-49-75(68-38-17-16-37-67(68)74)71-60(51-23-8-2-9-24-51)33-19-34-61(71)52-25-10-3-11-26-52;/h1-45,48-49H;/q-3;/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
• InChIKey: SHYAQPCHTCQURF-LYYYLUNWSA-N
• XLogP: 19.11
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1220.42
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-[4-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-ide;platinum (CID 170671598) is 9-[4-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[4-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccc(Oc4[c-]c(N5[CH-]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)[c-]c2n3-c2cc(Oc3c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cccc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])ccn2)c([2H])c1[2H].[Pt].

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

The InChIKey is SHYAQPCHTCQURF-LYYYLUNWSA-N. The full InChI is InChI=1S/C72H47N4O2.Pt/c1-6-21-50(22-7-1)55-39-42-66-65(45-55)64-41-40-58(47-69(64)76(66)70-48-59(43-44-73-70)78-72-62(53-27-12-4-13-28-53)35-20-36-63(72)54-29-14-5-15-30-54)77-57-32-18-31-56(46-57)74-49-75(68-38-17-16-37-67(68)74)71-60(51-23-8-2-9-24-51)33-19-34-61(71)52-25-10-3-11-26-52;/h1-45,48-49H;/q-3;/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D;.

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

9-[4-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1220.42 g/mol, XLogP of 19.11, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170671598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).