N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine

C59H49N — CID 170303754

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine (PubChem CID 170303754) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
• PubChem CID: 170303754
• Molecular Formula: C59H49N
• Molecular Weight: 772.05 g/mol
• Exact Mass: 771.39
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
• SMILES: c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC5CC2C453)c(-c2cccc3cccc(C4CCCCC4)c23)c1
• InChI: InChI=1S/C59H49N/c1-2-13-38(14-3-1)47-23-11-17-40-18-12-24-51(57(40)47)50-21-7-9-26-54(50)60(43-29-27-39(28-30-43)46-22-10-16-37-15-4-5-19-45(37)46)44-31-32-49-48-20-6-8-25-52(48)59(53(49)36-44)55-34-41-33-42-35-56(59)58(41,42)55/h4-12,15-32,36,38,41-42,55-56H,1-3,13-14,33-35H2
• InChIKey: OITQBUQRMGCFBK-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.05
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine (CID 170303754) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC5CC2C453)c(-c2cccc3cccc(C4CCCCC4)c23)c1.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine?

The InChIKey is OITQBUQRMGCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-2-13-38(14-3-1)47-23-11-17-40-18-12-24-51(57(40)47)50-21-7-9-26-54(50)60(43-29-27-39(28-30-43)46-22-10-16-37-15-4-5-19-45(37)46)44-31-32-49-48-20-6-8-25-52(48)59(53(49)36-44)55-34-41-33-42-35-56(59)58(41,42)55/h4-12,15-32,36,38,41-42,55-56H,1-3,13-14,33-35H2.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine has a molecular weight of 772.05 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine is sourced from PubChem (CID 170303754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).