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

C63H57N4OPt- — CID 170676723

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

2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum (PubChem CID 170676723) has the molecular formula C63H57N4OPt- and a molecular weight of 1081.25 g/mol. Its IUPAC name is 2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
• PubChem CID: 170676723
• Molecular Formula: C63H57N4OPt-
• Molecular Weight: 1081.25 g/mol
• Exact Mass: 1080.42
• IUPAC Name: 2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5ccnc(-c6[c-]c(-c7cc(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cc(-c8ccccc8O)n7)ccc6)c5)c43)cc2)nc1.[Pt]
• InChI: InChI=1S/C63H57N4O.Pt/c1-61(2,3)46-26-29-54(65-39-46)40-24-27-49(28-25-40)67-58-22-12-10-18-51(58)52-21-15-20-50(60(52)67)41-30-31-64-55(35-41)42-16-14-17-43(32-42)56-36-45(37-57(66-56)53-19-11-13-23-59(53)68)44-33-47(62(4,5)6)38-48(34-44)63(7,8)9;/h10-31,33-39,68H,1-9H3;/q-1
• InChIKey: ZRORVQKGVLZZBQ-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.25
LogP ≤ 5	16.37
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-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum (CID 170676723) is 2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum.

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

The canonical SMILES for 2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum is CC(C)(C)c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5ccnc(-c6[c-]c(-c7cc(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cc(-c8ccccc8O)n7)ccc6)c5)c43)cc2)nc1.[Pt].

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

The InChIKey is ZRORVQKGVLZZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H57N4O.Pt/c1-61(2,3)46-26-29-54(65-39-46)40-24-27-49(28-25-40)67-58-22-12-10-18-51(58)52-21-15-20-50(60(52)67)41-30-31-64-55(35-41)42-16-14-17-43(32-42)56-36-45(37-57(66-56)53-19-11-13-23-59(53)68)44-33-47(62(4,5)6)38-48(34-44)63(7,8)9;/h10-31,33-39,68H,1-9H3;/q-1;.

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

2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum has a molecular weight of 1081.25 g/mol, XLogP of 16.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 170676723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).