N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

C63H61N — CID 176595143

About N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 176595143) has the molecular formula C63H61N and a molecular weight of 832.19 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
• PubChem CID: 176595143
• Molecular Formula: C63H61N
• Molecular Weight: 832.19 g/mol
• Exact Mass: 831.48
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4c(cc3-c3ccc(-c5ccccc5)cc3)-c3ccccc3C43C4CC5CC(C4)CC3C5)ccc21
• InChI: InChI=1S/C63H61N/c1-60(2)28-29-61(3,4)58-36-47(25-27-55(58)60)64(46-24-26-50-48-16-10-12-18-53(48)62(5,6)56(50)35-46)59-38-57-52(37-51(59)43-22-20-42(21-23-43)41-14-8-7-9-15-41)49-17-11-13-19-54(49)63(57)44-31-39-30-40(33-44)34-45(63)32-39/h7-27,35-40,44-45H,28-34H2,1-6H3
• InChIKey: RIKLYJLTZNSKRL-UHFFFAOYSA-N
• XLogP: 16.87
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.19
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 176595143) is N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

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

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4c(cc3-c3ccc(-c5ccccc5)cc3)-c3ccccc3C43C4CC5CC(C4)CC3C5)ccc21.

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

The InChIKey is RIKLYJLTZNSKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H61N/c1-60(2)28-29-61(3,4)58-36-47(25-27-55(58)60)64(46-24-26-50-48-16-10-12-18-53(48)62(5,6)56(50)35-46)59-38-57-52(37-51(59)43-22-20-42(21-23-43)41-14-8-7-9-15-41)49-17-11-13-19-54(49)63(57)44-31-39-30-40(33-44)34-45(63)32-39/h7-27,35-40,44-45H,28-34H2,1-6H3.

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

N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 832.19 g/mol, XLogP of 16.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-3'-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 176595143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).