9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C78H75N4OPt-3 — CID 164794989

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 164794989) has the molecular formula C78H75N4OPt-3 and a molecular weight of 1279.56 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 164794989
• Molecular Formula: C78H75N4OPt-3
• Molecular Weight: 1279.56 g/mol
• Exact Mass: 1278.56
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(C7(c8ccccc8)C8CCCC7(C)C8(C)C)cc(-c7ccccc7)cc6C6(c7ccccc7)C7CCCC6(C)C7(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C78H75N4O.Pt/c1-72(2,3)56-42-45-79-70(48-56)82-64-35-20-19-34-60(64)61-41-40-59(50-67(61)82)83-58-33-23-32-57(49-58)80-51-81(66-37-22-21-36-65(66)80)71-62(77(54-28-15-11-16-29-54)68-38-24-43-75(77,8)73(68,4)5)46-53(52-26-13-10-14-27-52)47-63(71)78(55-30-17-12-18-31-55)69-39-25-44-76(78,9)74(69,6)7;/h10-23,26-37,40-42,45-48,51,68-69H,24-25,38-39,43-44H2,1-9H3;/q-3
• InChIKey: VDSXRPMYXRFLJD-UHFFFAOYSA-N
• XLogP: 20.21
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1279.56
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 164794989) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(C7(c8ccccc8)C8CCCC7(C)C8(C)C)cc(-c7ccccc7)cc6C6(c7ccccc7)C7CCCC6(C)C7(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is VDSXRPMYXRFLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H75N4O.Pt/c1-72(2,3)56-42-45-79-70(48-56)82-64-35-20-19-34-60(64)61-41-40-59(50-67(61)82)83-58-33-23-32-57(49-58)80-51-81(66-37-22-21-36-65(66)80)71-62(77(54-28-15-11-16-29-54)68-38-24-43-75(77,8)73(68,4)5)46-53(52-26-13-10-14-27-52)47-63(71)78(55-30-17-12-18-31-55)69-39-25-44-76(78,9)74(69,6)7;/h10-23,26-37,40-42,45-48,51,68-69H,24-25,38-39,43-44H2,1-9H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1279.56 g/mol, XLogP of 20.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-phenyl-2,6-bis(1,7,7-trimethyl-6-phenyl-6-bicyclo[3.1.1]heptanyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164794989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).