2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum

C72H63N4OPt- — CID 162783084

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 162783084) has the molecular formula C72H63N4OPt- and a molecular weight of 1195.40 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783084
• Molecular Formula: C72H63N4OPt-
• Molecular Weight: 1195.40 g/mol
• Exact Mass: 1194.47
• IUPAC Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc5c4c4ccccc4n5-c4ccccc4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C72H63N4O.Pt/c1-70(2,3)52-36-37-63(57(43-52)49-24-15-11-16-25-49)76-64-31-21-29-55(67(64)74-69(76)59-44-53(71(4,5)6)45-60(68(59)77)72(7,8)9)58-40-51(42-65-66(58)56-28-19-20-30-62(56)75(65)54-26-17-12-18-27-54)61-41-50(38-39-73-61)48-34-32-47(33-35-48)46-22-13-10-14-23-46;/h10-39,41-45,77H,1-9H3;/q-1
• InChIKey: WBSVRBCUTIQWBF-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1195.40
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	1
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 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum (CID 162783084) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc5c4c4ccccc4n5-c4ccccc4)cccc32)c(-c2ccccc2)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is WBSVRBCUTIQWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H63N4O.Pt/c1-70(2,3)52-36-37-63(57(43-52)49-24-15-11-16-25-49)76-64-31-21-29-55(67(64)74-69(76)59-44-53(71(4,5)6)45-60(68(59)77)72(7,8)9)58-40-51(42-65-66(58)56-28-19-20-30-62(56)75(65)54-26-17-12-18-27-54)61-41-50(38-39-73-61)48-34-32-47(33-35-48)46-22-13-10-14-23-46;/h10-39,41-45,77H,1-9H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1195.40 g/mol, XLogP of 18.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).