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-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C74H58N5O2Pt-3 — CID 170671723

About 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-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum

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-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 170671723) has the molecular formula C74H58N5O2Pt-3 and a molecular weight of 1254.45 g/mol. Its IUPAC name is 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-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 170671723
• Molecular Formula: C74H58N5O2Pt-3
• Molecular Weight: 1254.45 g/mol
• Exact Mass: 1253.49
• IUPAC Name: 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-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-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])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(Oc5c(C(C)(C)C)cccc5C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C74H58N5O2.Pt/c1-73(2,3)62-32-21-33-63(74(4,5)6)72(62)81-55-42-43-75-70(47-55)79-66-41-38-52(78-64-34-15-13-28-58(64)59-29-14-16-35-65(59)78)45-61(66)60-40-39-54(46-69(60)79)80-53-27-19-26-51(44-53)76-48-77(68-37-18-17-36-67(68)76)71-56(49-22-9-7-10-23-49)30-20-31-57(71)50-24-11-8-12-25-50;/h7-43,45,47-48H,1-6H3;/q-3;/i7D,8D,9D,10D,11D,12D,22D,23D,24D,25D
• InChIKey: RTBRVWUBQWUJLZ-BQCDUHSCSA-N
• XLogP: 19.80
• TPSA: 47.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1254.45
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 170671723) is 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-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-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])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(Oc5c(C(C)(C)C)cccc5C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 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-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is RTBRVWUBQWUJLZ-BQCDUHSCSA-N. The full InChI is InChI=1S/C74H58N5O2.Pt/c1-73(2,3)62-32-21-33-63(74(4,5)6)72(62)81-55-42-43-75-70(47-55)79-66-41-38-52(78-64-34-15-13-28-58(64)59-29-14-16-35-65(59)78)45-61(66)60-40-39-54(46-69(60)79)80-53-27-19-26-51(44-53)76-48-77(68-37-18-17-36-67(68)76)71-56(49-22-9-7-10-23-49)30-20-31-57(71)50-24-11-8-12-25-50;/h7-43,45,47-48H,1-6H3;/q-3;/i7D,8D,9D,10D,11D,12D,22D,23D,24D,25D;.

What are the key properties of 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-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

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-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1254.45 g/mol, XLogP of 19.80, 10 rotatable bonds, 0 hydrogen bond donors, and 7 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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(2,6-ditert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170671723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).