N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine

C57H57NO — CID 176595135

About N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine

N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine (PubChem CID 176595135) has the molecular formula C57H57NO and a molecular weight of 772.09 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
• PubChem CID: 176595135
• Molecular Formula: C57H57NO
• Molecular Weight: 772.09 g/mol
• Exact Mass: 771.44
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)cc4c3Oc3ccccc3C43C4CC5CC(C4)CC3C5)ccc21
• InChI: InChI=1S/C57H57NO/c1-54(2)24-25-55(3,4)49-34-42(21-23-46(49)54)58(41-20-22-44-43-16-10-11-17-45(43)56(5,6)48(44)33-41)51-32-38(37-14-8-7-9-15-37)31-50-53(51)59-52-19-13-12-18-47(52)57(50)39-27-35-26-36(29-39)30-40(57)28-35/h7-23,31-36,39-40H,24-30H2,1-6H3
• InChIKey: PYWVNYLRLDQDLN-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.09
LogP ≤ 5	15.33
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)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine (CID 176595135) is N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)cc4c3Oc3ccccc3C43C4CC5CC(C4)CC3C5)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine?

The InChIKey is PYWVNYLRLDQDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H57NO/c1-54(2)24-25-55(3,4)49-34-42(21-23-46(49)54)58(41-20-22-44-43-16-10-11-17-45(43)56(5,6)48(44)33-41)51-32-38(37-14-8-7-9-15-37)31-50-53(51)59-52-19-13-12-18-47(52)57(50)39-27-35-26-36(29-39)30-40(57)28-35/h7-23,31-36,39-40H,24-30H2,1-6H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine?

N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine has a molecular weight of 772.09 g/mol, XLogP of 15.33, 4 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)-2'-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-4'-amine is sourced from PubChem (CID 176595135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).