7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C51H36N+ — CID 123227044

About 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 123227044) has the molecular formula C51H36N+ and a molecular weight of 662.86 g/mol. Its IUPAC name is 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

• Compound Name: 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
• PubChem CID: 123227044
• Molecular Formula: C51H36N+
• Molecular Weight: 662.86 g/mol
• Exact Mass: 662.28
• IUPAC Name: 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
• SMILES: [CH2+]c1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21
• InChI: InChI=1S/C51H36N/c1-34-20-30-42-43-31-21-35(2)33-48(43)51(47(42)32-34)45-17-10-9-16-44(45)50-46(51)18-11-19-49(50)52(40-26-22-38(23-27-40)36-12-5-3-6-13-36)41-28-24-39(25-29-41)37-14-7-4-8-15-37/h3-33H,1H2,2H3/q+1
• InChIKey: HGRPGQWOCHXZNI-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.86
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?

The IUPAC name of 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 123227044) is 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

What is the SMILES notation for 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?

The canonical SMILES for 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is [CH2+]c1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21.

What is the InChIKey of 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?

The InChIKey is HGRPGQWOCHXZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N/c1-34-20-30-42-43-31-21-35(2)33-48(43)51(47(42)32-34)45-17-10-9-16-44(45)50-46(51)18-11-19-49(50)52(40-26-22-38(23-27-40)36-12-5-3-6-13-36)41-28-24-39(25-29-41)37-14-7-4-8-15-37/h3-33H,1H2,2H3/q+1.

What are the key properties of 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?

7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 662.86 g/mol, XLogP of 13.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 123227044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).