N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine

C56H49N — CID 168723097

About N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine

N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine (PubChem CID 168723097) has the molecular formula C56H49N and a molecular weight of 736.02 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
• PubChem CID: 168723097
• Molecular Formula: C56H49N
• Molecular Weight: 736.02 g/mol
• Exact Mass: 735.39
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
• SMILES: c1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3-c3ccccc3C43C4CCC5CC(C4)CC3C5)ccc1C21CCCC1
• InChI: InChI=1S/C56H49N/c1-2-13-44-38(11-1)12-9-16-45(44)39-22-25-42(26-23-39)57(43-27-28-50-48(35-43)46-14-3-5-17-49(46)55(50)29-7-8-30-55)53-20-10-19-52-54(53)47-15-4-6-18-51(47)56(52)40-24-21-36-31-37(33-40)34-41(56)32-36/h1-6,9-20,22-23,25-28,35-37,40-41H,7-8,21,24,29-34H2
• InChIKey: IWKOSVYCKPTNHO-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.02
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine (CID 168723097) is N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine.

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

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine is c1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3-c3ccccc3C43C4CCC5CC(C4)CC3C5)ccc1C21CCCC1.

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

The InChIKey is IWKOSVYCKPTNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49N/c1-2-13-44-38(11-1)12-9-16-45(44)39-22-25-42(26-23-39)57(43-27-28-50-48(35-43)46-14-3-5-17-49(46)55(50)29-7-8-30-55)53-20-10-19-52-54(53)47-15-4-6-18-51(47)56(52)40-24-21-36-31-37(33-40)34-41(56)32-36/h1-6,9-20,22-23,25-28,35-37,40-41H,7-8,21,24,29-34H2.

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

N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine has a molecular weight of 736.02 g/mol, XLogP of 14.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine is sourced from PubChem (CID 168723097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).