2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane

C62H48Cl2N4O — CID 139089806

About 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane

2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane (PubChem CID 139089806) has the molecular formula C62H48Cl2N4O and a molecular weight of 936.00 g/mol. Its IUPAC name is 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane.

Molecular Properties

• Compound Name: 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane
• PubChem CID: 139089806
• Molecular Formula: C62H48Cl2N4O
• Molecular Weight: 936.00 g/mol
• Exact Mass: 934.32
• IUPAC Name: 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)o2)cc1.ClCCl
• InChI: InChI=1S/C61H46N4O.CH2Cl2/c1-60(2,3)43-31-28-41(29-32-43)58-62-63-59(66-58)42-30-35-51-50-26-16-17-27-54(50)61(55(51)38-42)56-39-48(64(44-18-8-4-9-19-44)45-20-10-5-11-21-45)33-36-52(56)53-37-34-49(40-57(53)61)65(46-22-12-6-13-23-46)47-24-14-7-15-25-47;2-1-3/h4-40H,1-3H3;1H2
• InChIKey: GIJYDIFAPMOGDT-UHFFFAOYSA-N
• XLogP: 17.41
• TPSA: 45.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.00
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane?

The IUPAC name of 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane (CID 139089806) is 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane.

What is the SMILES notation for 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane?

The canonical SMILES for 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane is CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)o2)cc1.ClCCl.

What is the InChIKey of 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane?

The InChIKey is GIJYDIFAPMOGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N4O.CH2Cl2/c1-60(2,3)43-31-28-41(29-32-43)58-62-63-59(66-58)42-30-35-51-50-26-16-17-27-54(50)61(55(51)38-42)56-39-48(64(44-18-8-4-9-19-44)45-20-10-5-11-21-45)33-36-52(56)53-37-34-49(40-57(53)61)65(46-22-12-6-13-23-46)47-24-14-7-15-25-47;2-1-3/h4-40H,1-3H3;1H2.

What are the key properties of 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane?

2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane has a molecular weight of 936.00 g/mol, XLogP of 17.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane is sourced from PubChem (CID 139089806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).