N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine

C52H36FN — CID 137493568

About N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine

N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine (PubChem CID 137493568) has the molecular formula C52H36FN and a molecular weight of 693.87 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
• PubChem CID: 137493568
• Molecular Formula: C52H36FN
• Molecular Weight: 693.87 g/mol
• Exact Mass: 693.28
• IUPAC Name: N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
• SMILES: CC(C)c1ccc(N(c2ccc(F)cc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/C52H36FN/c1-32(2)33-23-27-35(28-24-33)54(36-29-25-34(53)26-30-36)48-31-45-49-42-18-6-3-13-37(42)38-14-4-7-19-43(38)51(49)52(50(45)44-20-8-5-17-41(44)48)46-21-11-9-15-39(46)40-16-10-12-22-47(40)52/h3-32H,1-2H3
• InChIKey: KHUGAGWMSHJPPQ-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.87
LogP ≤ 5	14.22
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-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine?

The IUPAC name of N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine (CID 137493568) is N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine.

What is the SMILES notation for N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine?

The canonical SMILES for N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine is CC(C)c1ccc(N(c2ccc(F)cc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)cc1.

What is the InChIKey of N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine?

The InChIKey is KHUGAGWMSHJPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36FN/c1-32(2)33-23-27-35(28-24-33)54(36-29-25-34(53)26-30-36)48-31-45-49-42-18-6-3-13-37(42)38-14-4-7-19-43(38)51(49)52(50(45)44-20-8-5-17-41(44)48)46-21-11-9-15-39(46)40-16-10-12-22-47(40)52/h3-32H,1-2H3.

What are the key properties of N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine?

N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine has a molecular weight of 693.87 g/mol, XLogP of 14.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine is sourced from PubChem (CID 137493568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).