N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine

C52H39N — CID 126542786

About N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine (PubChem CID 126542786) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
• PubChem CID: 126542786
• Molecular Formula: C52H39N
• Molecular Weight: 677.89 g/mol
• Exact Mass: 677.31
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(C5=CCCC=C54)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C52H39N/c1-51(2)44-23-11-6-19-38(44)42-30-28-35(32-48(42)51)53(50-27-15-10-18-37(50)34-16-4-3-5-17-34)36-29-31-43-41-22-9-14-26-47(41)52(49(43)33-36)45-24-12-7-20-39(45)40-21-8-13-25-46(40)52/h3-8,10-13,15-33H,9,14H2,1-2H3
• InChIKey: UJKAKBFRCWOGNQ-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.89
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine (CID 126542786) is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(C5=CCCC=C54)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine?

The InChIKey is UJKAKBFRCWOGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-51(2)44-23-11-6-19-38(44)42-30-28-35(32-48(42)51)53(50-27-15-10-18-37(50)34-16-4-3-5-17-34)36-29-31-43-41-22-9-14-26-47(41)52(49(43)33-36)45-24-12-7-20-39(45)40-21-8-13-25-46(40)52/h3-8,10-13,15-33H,9,14H2,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine has a molecular weight of 677.89 g/mol, XLogP of 13.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine is sourced from PubChem (CID 126542786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).