N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

C43H33N — CID 166508521

About N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (PubChem CID 166508521) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
• PubChem CID: 166508521
• Molecular Formula: C43H33N
• Molecular Weight: 563.74 g/mol
• Exact Mass: 563.26
• IUPAC Name: N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
• SMILES: c1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3ccc4c(ccc5ccccc54)c3)cc1C21CC2CCC1C2
• InChI: InChI=1S/C43H33N/c1-2-9-31-24-34(18-16-29(31)7-1)44(35-19-21-38-32(25-35)15-14-30-8-3-4-10-37(30)38)36-20-22-40-39-11-5-6-12-41(39)43(42(40)26-36)27-28-13-17-33(43)23-28/h1-12,14-16,18-22,24-26,28,33H,13,17,23,27H2
• InChIKey: FXCXFGVISUKBHB-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.74
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

The IUPAC name of N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (CID 166508521) is N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

What is the SMILES notation for N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

The canonical SMILES for N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3ccc4c(ccc5ccccc54)c3)cc1C21CC2CCC1C2.

What is the InChIKey of N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

The InChIKey is FXCXFGVISUKBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-2-9-31-24-34(18-16-29(31)7-1)44(35-19-21-38-32(25-35)15-14-30-8-3-4-10-37(30)38)36-20-22-40-39-11-5-6-12-41(39)43(42(40)26-36)27-28-13-17-33(43)23-28/h1-12,14-16,18-22,24-26,28,33H,13,17,23,27H2.

What are the key properties of N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine has a molecular weight of 563.74 g/mol, XLogP of 11.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 166508521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).