N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine

C60H53N — CID 168723067

About N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine

N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine (PubChem CID 168723067) has the molecular formula C60H53N and a molecular weight of 788.09 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine.

Molecular Properties

• Compound Name: N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
• PubChem CID: 168723067
• Molecular Formula: C60H53N
• Molecular Weight: 788.09 g/mol
• Exact Mass: 787.42
• IUPAC Name: N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c3cccc4c3-c3ccccc3C43C4CCC5CC(C4)CC3C5)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C60H53N/c1-3-12-41(13-4-1)48-28-26-46(35-52(48)42-14-5-2-6-15-42)61(47-27-29-50-49-16-7-9-18-53(49)59(56(50)36-47)37-39-23-24-43(59)32-39)57-21-11-20-55-58(57)51-17-8-10-19-54(51)60(55)44-25-22-38-30-40(33-44)34-45(60)31-38/h1-21,26-29,35-36,38-40,43-45H,22-25,30-34,37H2
• InChIKey: PTVMTYJGUFOEBX-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.09
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine?

The IUPAC name of N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine (CID 168723067) is N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine.

What is the SMILES notation for N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine?

The canonical SMILES for N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c3cccc4c3-c3ccccc3C43C4CCC5CC(C4)CC3C5)cc2-c2ccccc2)cc1.

What is the InChIKey of N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine?

The InChIKey is PTVMTYJGUFOEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53N/c1-3-12-41(13-4-1)48-28-26-46(35-52(48)42-14-5-2-6-15-42)61(47-27-29-50-49-16-7-9-18-53(49)59(56(50)36-47)37-39-23-24-43(59)32-39)57-21-11-20-55-58(57)51-17-8-10-19-54(51)60(55)44-25-22-38-30-40(33-44)34-45(60)31-38/h1-21,26-29,35-36,38-40,43-45H,22-25,30-34,37H2.

What are the key properties of N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine?

N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine has a molecular weight of 788.09 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine is sourced from PubChem (CID 168723067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).