9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine

C58H41NO — CID 174274909

About 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine (PubChem CID 174274909) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
• PubChem CID: 174274909
• Molecular Formula: C58H41NO
• Molecular Weight: 767.97 g/mol
• Exact Mass: 767.32
• IUPAC Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc21
• InChI: InChI=1S/C58H41NO/c1-57(2)48-22-10-6-19-44(48)47-34-33-42(37-52(47)57)59(41-31-28-39(29-32-41)38-16-4-3-5-17-38)54-26-14-9-18-43(54)40-30-35-56-53(36-40)58(51-25-13-15-27-55(51)60-56)49-23-11-7-20-45(49)46-21-8-12-24-50(46)58/h3-37H,1-2H3
• InChIKey: YUKVPTVPNBHVIH-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 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine (CID 174274909) is 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc21.

What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine?

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

What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine?

9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-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 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 174274909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).