N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C58H41NO — CID 170240505

About N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 170240505) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 170240505
• Molecular Formula: C58H41NO
• Molecular Weight: 767.97 g/mol
• Exact Mass: 767.32
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5cc(-c6ccccc6)ccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C58H41NO/c1-57(2)48-24-12-9-22-44(48)46-32-30-41(36-52(46)57)59(54-27-15-11-21-43(54)39-19-7-4-8-20-39)42-31-33-47-45-23-10-13-25-49(45)58(53(47)37-42)50-26-14-16-28-55(50)60-56-35-40(29-34-51(56)58)38-17-5-3-6-18-38/h3-37H,1-2H3
• InChIKey: SINVIFVCLFMICF-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.97
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 170240505) is N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5cc(-c6ccccc6)ccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The InChIKey is SINVIFVCLFMICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(2)48-24-12-9-22-44(48)46-32-30-41(36-52(46)57)59(54-27-15-11-21-43(54)39-19-7-4-8-20-39)42-31-33-47-45-23-10-13-25-49(45)58(53(47)37-42)50-26-14-16-28-55(50)60-56-35-40(29-34-51(56)58)38-17-5-3-6-18-38/h3-37H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 767.97 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 170240505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).