2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum

C72H64N5OPt- — CID 177093995

About 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum

2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 177093995) has the molecular formula C72H64N5OPt- and a molecular weight of 1210.42 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177093995
• Molecular Formula: C72H64N5OPt-
• Molecular Weight: 1210.42 g/mol
• Exact Mass: 1209.48
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cccc4c5ccccc5n(-c5cccc(N(c6ccccc6)c6ccccc6)c5)c34)ccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C72H64N5O.Pt/c1-70(2,3)50-40-48(58-31-22-35-65-67(58)74-69(62-30-17-19-36-66(62)78)77(65)57-44-51(71(4,5)6)43-52(45-57)72(7,8)9)39-49(41-50)63-42-47(37-38-73-63)59-32-21-33-61-60-29-16-18-34-64(60)76(68(59)61)56-28-20-27-55(46-56)75(53-23-12-10-13-24-53)54-25-14-11-15-26-54;/h10-38,40-46,78H,1-9H3;/q-1
• InChIKey: ZPFHRXLKIDKYPE-UHFFFAOYSA-N
• XLogP: 19.05
• TPSA: 59.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1210.42
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum (CID 177093995) is 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3cccc4c5ccccc5n(-c5cccc(N(c6ccccc6)c6ccccc6)c5)c34)ccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt].

What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is ZPFHRXLKIDKYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N5O.Pt/c1-70(2,3)50-40-48(58-31-22-35-65-67(58)74-69(62-30-17-19-36-66(62)78)77(65)57-44-51(71(4,5)6)43-52(45-57)72(7,8)9)39-49(41-50)63-42-47(37-38-73-63)59-32-21-33-61-60-29-16-18-34-64(60)76(68(59)61)56-28-20-27-55(46-56)75(53-23-12-10-13-24-53)54-25-14-11-15-26-54;/h10-38,40-46,78H,1-9H3;/q-1;.

What are the key properties of 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum?

2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1210.42 g/mol, XLogP of 19.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177093995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).