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

C54H53N — CID 176595541

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

7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 176595541) has the molecular formula C54H53N and a molecular weight of 716.03 g/mol. Its IUPAC name is 7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: 7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
• PubChem CID: 176595541
• Molecular Formula: C54H53N
• Molecular Weight: 716.03 g/mol
• Exact Mass: 715.42
• IUPAC Name: 7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
• SMILES: CC1(C)CCC(C)(C)c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5cc(-c6ccccc6)ccc5-4)C4CC5CC(C4)CC3C5)cccc21
• InChI: InChI=1S/C54H53N/c1-52(2)26-27-53(3,4)51-47(52)16-11-17-50(51)55(43-21-18-39(19-22-43)37-12-7-5-8-13-37)44-23-25-46-45-24-20-40(38-14-9-6-10-15-38)33-48(45)54(49(46)34-44)41-29-35-28-36(31-41)32-42(54)30-35/h5-25,33-36,41-42H,26-32H2,1-4H3
• InChIKey: NXEUJMWNXAXAMK-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 7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?

The IUPAC name of 7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 176595541) is 7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

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

The canonical SMILES for 7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is CC1(C)CCC(C)(C)c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5cc(-c6ccccc6)ccc5-4)C4CC5CC(C4)CC3C5)cccc21.

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

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

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

7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-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 7'-phenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 176595541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).