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

C54H53N — CID 176595500

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

N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 176595500) has the molecular formula C54H53N and a molecular weight of 716.03 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
• PubChem CID: 176595500
• Molecular Formula: C54H53N
• Molecular Weight: 716.03 g/mol
• Exact Mass: 715.42
• IUPAC Name: N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
• SMILES: CC1(C)CCC(C)(C)c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cccc21
• InChI: InChI=1S/C54H53N/c1-52(2)28-29-53(3,4)51-43(18-12-21-47(51)52)42-16-9-11-22-48(42)55(41-26-24-38(25-27-41)37-14-6-5-7-15-37)49-23-13-20-46-50(49)44-17-8-10-19-45(44)54(46)39-31-35-30-36(33-39)34-40(54)32-35/h5-27,35-36,39-40H,28-34H2,1-4H3
• InChIKey: HSWSVNNWZPMIEW-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	716.03
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine (CID 176595500) is N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine.

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

The canonical SMILES for N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine is CC1(C)CCC(C)(C)c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cccc21.

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

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

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

N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 716.03 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 N-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 176595500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).