N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine

C59H53N — CID 168722865

About N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine

N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine (PubChem CID 168722865) has the molecular formula C59H53N and a molecular weight of 776.08 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine.

Molecular Properties

• Compound Name: N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
• PubChem CID: 168722865
• Molecular Formula: C59H53N
• Molecular Weight: 776.08 g/mol
• Exact Mass: 775.42
• IUPAC Name: N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CCC6CC(C5)CC4C6)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)cc2)cc1
• InChI: InChI=1S/C59H53N/c1-3-11-41(12-4-1)42-18-20-43(21-19-42)44-22-25-47(26-23-44)60(49-27-29-52-50-13-5-7-15-54(50)58(57(52)38-49)31-9-2-10-32-58)48-28-30-56-53(37-48)51-14-6-8-16-55(51)59(56)45-24-17-39-33-40(35-45)36-46(59)34-39/h1,3-8,11-16,18-23,25-30,37-40,45-46H,2,9-10,17,24,31-36H2
• InChIKey: KEBTYJAIYYOTFN-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.08
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine?

The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine (CID 168722865) is N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine.

What is the SMILES notation for N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine?

The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CCC6CC(C5)CC4C6)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)cc2)cc1.

What is the InChIKey of N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine?

The InChIKey is KEBTYJAIYYOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H53N/c1-3-11-41(12-4-1)42-18-20-43(21-19-42)44-22-25-47(26-23-44)60(49-27-29-52-50-13-5-7-15-54(50)58(57(52)38-49)31-9-2-10-32-58)48-28-30-56-53(37-48)51-14-6-8-16-55(51)59(56)45-24-17-39-33-40(35-45)36-46(59)34-39/h1,3-8,11-16,18-23,25-30,37-40,45-46H,2,9-10,17,24,31-36H2.

What are the key properties of N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine?

N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine has a molecular weight of 776.08 g/mol, XLogP of 15.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine is sourced from PubChem (CID 168722865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).