N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine

C54H41N — CID 156821274

About N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine

N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine (PubChem CID 156821274) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine.

Molecular Properties

• Compound Name: N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine
• PubChem CID: 156821274
• Molecular Formula: C54H41N
• Molecular Weight: 703.93 g/mol
• Exact Mass: 703.32
• IUPAC Name: N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine
• SMILES: C1=CC(N(c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)c2ccccc2-c2ccccc2)CC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C54H41N/c1-2-16-36(17-3-1)39-18-8-13-27-52(39)55(38-28-30-44-40-19-4-9-23-46(40)53(51(44)35-38)32-14-15-33-53)37-29-31-50-45(34-37)43-22-7-12-26-49(43)54(50)47-24-10-5-20-41(47)42-21-6-11-25-48(42)54/h1-13,16-31,35,37H,14-15,32-34H2
• InChIKey: XNDJVMZKIVTVLW-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.93
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine?

The IUPAC name of N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine (CID 156821274) is N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine.

What is the SMILES notation for N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine?

The canonical SMILES for N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine is C1=CC(N(c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)c2ccccc2-c2ccccc2)CC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21.

What is the InChIKey of N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine?

The InChIKey is XNDJVMZKIVTVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-2-16-36(17-3-1)39-18-8-13-27-52(39)55(38-28-30-44-40-19-4-9-23-46(40)53(51(44)35-38)32-14-15-33-53)37-29-31-50-45(34-37)43-22-7-12-26-49(43)54(50)47-24-10-5-20-41(47)42-21-6-11-25-48(42)54/h1-13,16-31,35,37H,14-15,32-34H2.

What are the key properties of N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine?

N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine has a molecular weight of 703.93 g/mol, XLogP of 13.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine is sourced from PubChem (CID 156821274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).