N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine

C52H39NSi — CID 140962640

About N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine

N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine (PubChem CID 140962640) has the molecular formula C52H39NSi and a molecular weight of 705.98 g/mol. Its IUPAC name is N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine.

Molecular Properties

• Compound Name: N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine
• PubChem CID: 140962640
• Molecular Formula: C52H39NSi
• Molecular Weight: 705.98 g/mol
• Exact Mass: 705.29
• IUPAC Name: N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine
• SMILES: C[Si](C)(C)c1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1c(c2ccccc2c2ccccc12)C31c2ccccc2-c2ccccc21
• InChI: InChI=1S/C52H39NSi/c1-54(2,3)48-28-16-15-27-47(48)53(35-17-5-4-6-18-35)36-30-32-37-34(33-36)29-31-44-49-42-23-9-7-19-38(42)39-20-8-10-24-43(39)51(49)52(50(37)44)45-25-13-11-21-40(45)41-22-12-14-26-46(41)52/h4-33H,1-3H3
• InChIKey: PAWYWSNQBLLJTB-UHFFFAOYSA-N
• XLogP: 13.50
• 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	705.98
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine?

The IUPAC name of N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine (CID 140962640) is N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine.

What is the SMILES notation for N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine?

The canonical SMILES for N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine is C[Si](C)(C)c1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1c(c2ccccc2c2ccccc12)C31c2ccccc2-c2ccccc21.

What is the InChIKey of N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine?

The InChIKey is PAWYWSNQBLLJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NSi/c1-54(2,3)48-28-16-15-27-47(48)53(35-17-5-4-6-18-35)36-30-32-37-34(33-36)29-31-44-49-42-23-9-7-19-38(42)39-20-8-10-24-43(39)51(49)52(50(37)44)45-25-13-11-21-40(45)41-22-12-14-26-46(41)52/h4-33H,1-3H3.

What are the key properties of N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine?

N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine has a molecular weight of 705.98 g/mol, XLogP of 13.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-(2-trimethylsilylphenyl)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(23),19,21-dodecaene]-20'-amine is sourced from PubChem (CID 140962640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).