9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum

C94H82N5O2Pt-3 — CID 170671645

About 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum

9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum (PubChem CID 170671645) has the molecular formula C94H82N5O2Pt-3 and a molecular weight of 1518.86 g/mol. Its IUPAC name is 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 170671645
• Molecular Formula: C94H82N5O2Pt-3
• Molecular Weight: 1518.86 g/mol
• Exact Mass: 1517.68
• IUPAC Name: 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-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])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(Oc5c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C94H82N5O2.Pt/c1-91(2,3)65-50-63(51-66(54-65)92(4,5)6)76-38-27-39-77(64-52-67(93(7,8)9)55-68(53-64)94(10,11)12)90(76)101-73-48-49-95-88(59-73)99-84-47-44-70(98-82-40-21-19-34-78(82)79-35-20-22-41-83(79)98)57-81(84)80-46-45-72(58-87(80)99)100-71-33-25-32-69(56-71)96-60-97(86-43-24-23-42-85(86)96)89-74(61-28-15-13-16-29-61)36-26-37-75(89)62-30-17-14-18-31-62;/h13-55,57,59-60H,1-12H3;/q-3;/i13D,14D,15D,16D,17D,18D,28D,29D,30D,31D
• InChIKey: MHAKNYCZGIIRCF-HHLLMRBESA-N
• XLogP: 25.73
• TPSA: 47.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1518.86
LogP ≤ 5	25.73
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 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum (CID 170671645) is 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-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])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(Oc5c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum?

The InChIKey is MHAKNYCZGIIRCF-HHLLMRBESA-N. The full InChI is InChI=1S/C94H82N5O2.Pt/c1-91(2,3)65-50-63(51-66(54-65)92(4,5)6)76-38-27-39-77(64-52-67(93(7,8)9)55-68(53-64)94(10,11)12)90(76)101-73-48-49-95-88(59-73)99-84-47-44-70(98-82-40-21-19-34-78(82)79-35-20-22-41-83(79)98)57-81(84)80-46-45-72(58-87(80)99)100-71-33-25-32-69(56-71)96-60-97(86-43-24-23-42-85(86)96)89-74(61-28-15-13-16-29-61)36-26-37-75(89)62-30-17-14-18-31-62;/h13-55,57,59-60H,1-12H3;/q-3;/i13D,14D,15D,16D,17D,18D,28D,29D,30D,31D;.

What are the key properties of 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum?

9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1518.86 g/mol, XLogP of 25.73, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2,6-bis(3,5-ditert-butylphenyl)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-carbazol-9-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170671645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).