6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C100H84N6OPt-2 — CID 155657158

About 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 155657158) has the molecular formula C100H84N6OPt-2 and a molecular weight of 1580.89 g/mol. Its IUPAC name is 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 155657158
• Molecular Formula: C100H84N6OPt-2
• Molecular Weight: 1580.89 g/mol
• Exact Mass: 1579.64
• IUPAC Name: 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccc4c(c3)c3ccc(Oc5[c-]c(-n6[c-][n+](-c7ccccc7-c7ccccc7)c7ccccc76)ccc5)[c-]c3n4-c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cn3)c2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C100H84N6O.Pt/c1-97(2,3)71-53-69(54-72(58-71)98(4,5)6)67-50-66(51-68(52-67)70-55-73(99(7,8)9)59-74(56-70)100(10,11)12)65-44-48-90-85(57-65)83-47-46-78(107-77-31-26-30-75(60-77)102-63-103(92-42-25-24-41-91(92)102)86-37-20-16-32-79(86)64-28-14-13-15-29-64)61-94(83)106(90)95-49-45-76(62-101-95)104-87-38-21-19-35-82(87)84-36-27-43-93(96(84)104)105-88-39-22-17-33-80(88)81-34-18-23-40-89(81)105;/h13-59,62H,1-12H3;/q-2
• InChIKey: HWSHPFRAGVMNLC-UHFFFAOYSA-N
• XLogP: 25.64
• TPSA: 45.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1580.89
LogP ≤ 5	25.64
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 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 155657158) is 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccc4c(c3)c3ccc(Oc5[c-]c(-n6[c-][n+](-c7ccccc7-c7ccccc7)c7ccccc76)ccc5)[c-]c3n4-c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cn3)c2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is HWSHPFRAGVMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H84N6O.Pt/c1-97(2,3)71-53-69(54-72(58-71)98(4,5)6)67-50-66(51-68(52-67)70-55-73(99(7,8)9)59-74(56-70)100(10,11)12)65-44-48-90-85(57-65)83-47-46-78(107-77-31-26-30-75(60-77)102-63-103(92-42-25-24-41-91(92)102)86-37-20-16-32-79(86)64-28-14-13-15-29-64)61-94(83)106(90)95-49-45-76(62-101-95)104-87-38-21-19-35-82(87)84-36-27-43-93(96(84)104)105-88-39-22-17-33-80(88)81-34-18-23-40-89(81)105;/h13-59,62H,1-12H3;/q-2;.

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

6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1580.89 g/mol, XLogP of 25.64, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155657158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).