5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine

C49H49NO — CID 176595984

About 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine

5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine (PubChem CID 176595984) has the molecular formula C49H49NO and a molecular weight of 667.94 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine.

Molecular Properties

• Compound Name: 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine
• PubChem CID: 176595984
• Molecular Formula: C49H49NO
• Molecular Weight: 667.94 g/mol
• Exact Mass: 667.38
• IUPAC Name: 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)Oc4ccccc4C54C5CC6CC7CC4C5(C6)C7)cc3)ccc21
• InChI: InChI=1S/C49H49NO/c1-46(2)22-23-47(3,4)41-28-37(19-21-38(41)46)50(35-10-6-5-7-11-35)36-17-14-33(15-18-36)34-16-20-40-43(27-34)51-42-13-9-8-12-39(42)49(40)44-25-31-24-32-26-45(49)48(44,29-31)30-32/h5-21,27-28,31-32,44-45H,22-26,29-30H2,1-4H3
• InChIKey: BYWMLSFSCGHNBH-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.94
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine?

The IUPAC name of 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine (CID 176595984) is 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine.

What is the SMILES notation for 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine?

The canonical SMILES for 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)Oc4ccccc4C54C5CC6CC7CC4C5(C6)C7)cc3)ccc21.

What is the InChIKey of 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine?

The InChIKey is BYWMLSFSCGHNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H49NO/c1-46(2)22-23-47(3,4)41-28-37(19-21-38(41)46)50(35-10-6-5-7-11-35)36-17-14-33(15-18-36)34-16-20-40-43(27-34)51-42-13-9-8-12-39(42)49(40)44-25-31-24-32-26-45(49)48(44,29-31)30-32/h5-21,27-28,31-32,44-45H,22-26,29-30H2,1-4H3.

What are the key properties of 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine?

5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine has a molecular weight of 667.94 g/mol, XLogP of 13.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-ylphenyl)-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 176595984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).