2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C57H52N3OPt- — CID 168803410

About 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 168803410) has the molecular formula C57H52N3OPt- and a molecular weight of 990.14 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 168803410
• Molecular Formula: C57H52N3OPt-
• Molecular Weight: 990.14 g/mol
• Exact Mass: 989.38
• IUPAC Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: CC(C)c1ccc2c3ccccc3n(-c3ccccc3)c2c1-c1ccnc(-c2[c-]c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)ccc2)c1.[Pt]
• InChI: InChI=1S/C57H52N3O.Pt/c1-36(2)45-25-26-47-46-21-12-14-23-52(46)60(44-19-10-9-11-20-44)55(47)54(45)39-27-28-58-49(32-39)37-17-16-18-38(29-37)50-33-41(34-51(59-50)48-22-13-15-24-53(48)61)40-30-42(56(3,4)5)35-43(31-40)57(6,7)8;/h9-28,30-36,61H,1-8H3;/q-1
• InChIKey: RJQVTHQKWPRLJZ-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.14
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 168803410) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)c1ccc2c3ccccc3n(-c3ccccc3)c2c1-c1ccnc(-c2[c-]c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)ccc2)c1.[Pt].

What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is RJQVTHQKWPRLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52N3O.Pt/c1-36(2)45-25-26-47-46-21-12-14-23-52(46)60(44-19-10-9-11-20-44)55(47)54(45)39-27-28-58-49(32-39)37-17-16-18-38(29-37)50-33-41(34-51(59-50)48-22-13-15-24-53(48)61)40-30-42(56(3,4)5)35-43(31-40)57(6,7)8;/h9-28,30-36,61H,1-8H3;/q-1;.

What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 990.14 g/mol, XLogP of 15.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 168803410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).