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

C54H53N — CID 176595793

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

1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 176595793) has the molecular formula C54H53N and a molecular weight of 716.02 g/mol. Its IUPAC name is 1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: 1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
• PubChem CID: 176595793
• Molecular Formula: C54H53N
• Molecular Weight: 716.02 g/mol
• Exact Mass: 715.42
• IUPAC Name: 1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)ccc21
• InChI: InChI=1S/C54H53N/c1-52(2)27-28-53(3,4)48-34-43(23-25-47(48)52)55(42-21-19-38(20-22-42)37-13-7-5-8-14-37)49-26-24-44(39-15-9-6-10-16-39)51-50(49)45-17-11-12-18-46(45)54(51)40-30-35-29-36(32-40)33-41(54)31-35/h5-26,34-36,40-41H,27-33H2,1-4H3
• InChIKey: FWFUWDPQJAHGPK-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.02
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (CID 176595793) is 1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.

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

The canonical SMILES for 1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)ccc21.

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

The InChIKey is FWFUWDPQJAHGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H53N/c1-52(2)27-28-53(3,4)48-34-43(23-25-47(48)52)55(42-21-19-38(20-22-42)37-13-7-5-8-14-37)49-26-24-44(39-15-9-6-10-16-39)51-50(49)45-17-11-12-18-46(45)54(51)40-30-35-29-36(32-40)33-41(54)31-35/h5-26,34-36,40-41H,27-33H2,1-4H3.

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

1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 716.02 g/mol, XLogP of 14.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 176595793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).