N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine

C58H55NO — CID 176595859

About N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine

N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine (PubChem CID 176595859) has the molecular formula C58H55NO and a molecular weight of 782.08 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine
• PubChem CID: 176595859
• Molecular Formula: C58H55NO
• Molecular Weight: 782.08 g/mol
• Exact Mass: 781.43
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C4(c6ccccc6O5)C5CC6CC(C5)CC4C6)c3)ccc21
• InChI: InChI=1S/C58H55NO/c1-56(2)27-28-57(3,4)52-35-42(21-25-50(52)56)41-13-9-14-46(34-41)59(45-22-19-40(20-23-45)49-16-10-12-39-11-5-6-15-48(39)49)47-24-26-55-53(36-47)58(51-17-7-8-18-54(51)60-55)43-30-37-29-38(32-43)33-44(58)31-37/h5-26,34-38,43-44H,27-33H2,1-4H3
• InChIKey: QLIMHPAABAHTAG-UHFFFAOYSA-N
• XLogP: 15.84
• 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	782.08
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine (CID 176595859) is N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine is CC1(C)CCC(C)(C)c2cc(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C4(c6ccccc6O5)C5CC6CC(C5)CC4C6)c3)ccc21.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine?

The InChIKey is QLIMHPAABAHTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55NO/c1-56(2)27-28-57(3,4)52-35-42(21-25-50(52)56)41-13-9-14-46(34-41)59(45-22-19-40(20-23-45)49-16-10-12-39-11-5-6-15-48(39)49)47-24-26-55-53(36-47)58(51-17-7-8-18-54(51)60-55)43-30-37-29-38(32-43)33-44(58)31-37/h5-26,34-38,43-44H,27-33H2,1-4H3.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine?

N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine has a molecular weight of 782.08 g/mol, XLogP of 15.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine is sourced from PubChem (CID 176595859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).