2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum

C55H54N3OPt- — CID 166569501

About 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum

2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum (PubChem CID 166569501) has the molecular formula C55H54N3OPt- and a molecular weight of 968.13 g/mol. Its IUPAC name is 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum.

Molecular Properties

• Compound Name: 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum
• PubChem CID: 166569501
• Molecular Formula: C55H54N3OPt-
• Molecular Weight: 968.13 g/mol
• Exact Mass: 967.39
• IUPAC Name: 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum
• SMILES: CC(C)c1cc(C(C)C)cc(N(c2[c-]c(-c3ccccn3)ccc2)c2ccc3c(n2)-c2c(O)cccc2C32c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c1.[Pt]
• InChI: InChI=1S/C55H54N3O.Pt/c1-33(2)36-27-37(34(3)4)30-41(29-36)58(40-16-13-15-35(28-40)48-18-11-12-26-56-48)50-25-24-45-52(57-50)51-44(17-14-19-49(51)59)55(45)46-31-38(53(5,6)7)20-22-42(46)43-23-21-39(32-47(43)55)54(8,9)10;/h11-27,29-34,59H,1-10H3;/q-1
• InChIKey: FCMXVCUZFBUOFL-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.13
LogP ≤ 5	14.30
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 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum?

The IUPAC name of 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum (CID 166569501) is 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum.

What is the SMILES notation for 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum?

The canonical SMILES for 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum is CC(C)c1cc(C(C)C)cc(N(c2[c-]c(-c3ccccn3)ccc2)c2ccc3c(n2)-c2c(O)cccc2C32c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c1.[Pt].

What is the InChIKey of 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum?

The InChIKey is FCMXVCUZFBUOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54N3O.Pt/c1-33(2)36-27-37(34(3)4)30-41(29-36)58(40-16-13-15-35(28-40)48-18-11-12-26-56-48)50-25-24-45-52(57-50)51-44(17-14-19-49(51)59)55(45)46-31-38(53(5,6)7)20-22-42(46)43-23-21-39(32-47(43)55)54(8,9)10;/h11-27,29-34,59H,1-10H3;/q-1;.

What are the key properties of 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum?

2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum has a molecular weight of 968.13 g/mol, XLogP of 14.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum is sourced from PubChem (CID 166569501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).