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

C61H49F3N3OPt- — CID 170676719

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

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 170676719) has the molecular formula C61H49F3N3OPt- and a molecular weight of 1092.15 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-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-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 170676719
• Molecular Formula: C61H49F3N3OPt-
• Molecular Weight: 1092.15 g/mol
• Exact Mass: 1091.35
• IUPAC Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7ccc(-c8ccccc8C(F)(F)F)cc7)c56)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C61H49F3N3O.Pt/c1-59(2,3)44-32-42(33-45(37-44)60(4,5)6)43-35-54(66-55(36-43)51-19-9-12-24-57(51)68)41-16-13-15-40(31-41)53-34-39(29-30-65-53)48-20-14-21-50-49-18-8-11-23-56(49)67(58(48)50)46-27-25-38(26-28-46)47-17-7-10-22-52(47)61(62,63)64;/h7-30,32-37,68H,1-6H3;/q-1
• InChIKey: DAAZHUXKVTXETM-UHFFFAOYSA-N
• XLogP: 16.69
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.15
LogP ≤ 5	16.69
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-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-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-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 170676719) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-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-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-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-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7ccc(-c8ccccc8C(F)(F)F)cc7)c56)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt].

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

The InChIKey is DAAZHUXKVTXETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49F3N3O.Pt/c1-59(2,3)44-32-42(33-45(37-44)60(4,5)6)43-35-54(66-55(36-43)51-19-9-12-24-57(51)68)41-16-13-15-40(31-41)53-34-39(29-30-65-53)48-20-14-21-50-49-18-8-11-23-56(49)67(58(48)50)46-27-25-38(26-28-46)47-17-7-10-22-52(47)61(62,63)64;/h7-30,32-37,68H,1-6H3;/q-1;.

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

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 1092.15 g/mol, XLogP of 16.69, 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-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 170676719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).