5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)

C68H60N4OPt — CID 164704590

About 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)

5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) (PubChem CID 164704590) has the molecular formula C68H60N4OPt and a molecular weight of 1144.33 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)
• PubChem CID: 164704590
• Molecular Formula: C68H60N4OPt
• Molecular Weight: 1144.33 g/mol
• Exact Mass: 1143.44
• IUPAC Name: 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1cccc(-c2ccc(C3(c4[c-]c(Oc5[c-]c(-c6nncn6-c6c(-c7ccccc7)cccc6-c6ccccc6)ccc5)ccc4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)nc2)c1.[Pt+2]
• InChI: InChI=1S/C68H60N4O.Pt/c1-65(2,3)50-26-16-24-47(38-50)49-32-37-62(69-43-49)68(60-41-51(66(4,5)6)33-35-58(60)59-36-34-52(42-61(59)68)67(7,8)9)53-27-18-29-55(40-53)73-54-28-17-25-48(39-54)64-71-70-44-72(64)63-56(45-20-12-10-13-21-45)30-19-31-57(63)46-22-14-11-15-23-46;/h10-38,41-44H,1-9H3;/q-2;+2
• InChIKey: NKGQVSSQLUHHRR-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1144.33
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	0
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 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)?

The IUPAC name of 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) (CID 164704590) is 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+).

What is the SMILES notation for 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)?

The canonical SMILES for 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) is CC(C)(C)c1cccc(-c2ccc(C3(c4[c-]c(Oc5[c-]c(-c6nncn6-c6c(-c7ccccc7)cccc6-c6ccccc6)ccc5)ccc4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)nc2)c1.[Pt+2].

What is the InChIKey of 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)?

The InChIKey is NKGQVSSQLUHHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H60N4O.Pt/c1-65(2,3)50-26-16-24-47(38-50)49-32-37-62(69-43-49)68(60-41-51(66(4,5)6)33-35-58(60)59-36-34-52(42-61(59)68)67(7,8)9)53-27-18-29-55(40-53)73-54-28-17-25-48(39-54)64-71-70-44-72(64)63-56(45-20-12-10-13-21-45)30-19-31-57(63)46-22-14-11-15-23-46;/h10-38,41-44H,1-9H3;/q-2;+2.

What are the key properties of 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)?

5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) has a molecular weight of 1144.33 g/mol, XLogP of 16.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-tert-butylphenyl)-2-[2,7-ditert-butyl-9-[3-[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+) is sourced from PubChem (CID 164704590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).