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

C52H51NO — CID 176596067

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

N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine (PubChem CID 176596067) has the molecular formula C52H51NO and a molecular weight of 705.99 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
• PubChem CID: 176596067
• Molecular Formula: C52H51NO
• Molecular Weight: 705.99 g/mol
• Exact Mass: 705.40
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)Oc3ccccc3C43C4CC5CC(C4)CC3C5)ccc21
• InChI: InChI=1S/C52H51NO/c1-50(2)24-25-51(3,4)47-31-40(20-22-44(47)50)53(39-18-16-36(17-19-39)43-13-9-11-35-10-5-6-12-42(35)43)41-21-23-46-49(32-41)54-48-15-8-7-14-45(48)52(46)37-27-33-26-34(29-37)30-38(52)28-33/h5-23,31-34,37-38H,24-30H2,1-4H3
• InChIKey: GBZHGGARVVEUGI-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.99
LogP ≤ 5	14.17
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-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine (CID 176596067) is N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine.

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

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)Oc3ccccc3C43C4CC5CC(C4)CC3C5)ccc21.

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

The InChIKey is GBZHGGARVVEUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51NO/c1-50(2)24-25-51(3,4)47-31-40(20-22-44(47)50)53(39-18-16-36(17-19-39)43-13-9-11-35-10-5-6-12-42(35)43)41-21-23-46-49(32-41)54-48-15-8-7-14-45(48)52(46)37-27-33-26-34(29-37)30-38(52)28-33/h5-23,31-34,37-38H,24-30H2,1-4H3.

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

N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine has a molecular weight of 705.99 g/mol, XLogP of 14.17, 4 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-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine is sourced from PubChem (CID 176596067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).