N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine

C51H43NSi — CID 140961797

About N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine

N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine (PubChem CID 140961797) has the molecular formula C51H43NSi and a molecular weight of 698.00 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine.

Molecular Properties

• Compound Name: N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine
• PubChem CID: 140961797
• Molecular Formula: C51H43NSi
• Molecular Weight: 698.00 g/mol
• Exact Mass: 697.32
• IUPAC Name: N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine
• SMILES: CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c4c(ccc3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C51H43NSi/c1-33(2)34-18-22-37(23-19-34)52(38-24-27-40(28-25-38)53(3,4)5)39-26-30-42-36(32-39)20-29-45-49-41-13-7-6-12-35(41)21-31-48(49)51(50(42)45)46-16-10-8-14-43(46)44-15-9-11-17-47(44)51/h6-33H,1-5H3
• InChIKey: JILUVTJEAJWLNY-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.00
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine?

The IUPAC name of N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine (CID 140961797) is N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine.

What is the SMILES notation for N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine?

The canonical SMILES for N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine is CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c4c(ccc3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine?

The InChIKey is JILUVTJEAJWLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43NSi/c1-33(2)34-18-22-37(23-19-34)52(38-24-27-40(28-25-38)53(3,4)5)39-26-30-42-36(32-39)20-29-45-49-41-13-7-6-12-35(41)21-31-48(49)51(50(42)45)46-16-10-8-14-43(46)44-15-9-11-17-47(44)51/h6-33H,1-5H3.

What are the key properties of N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine?

N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine has a molecular weight of 698.00 g/mol, XLogP of 13.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-propan-2-ylphenyl)-N-(4-trimethylsilylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine is sourced from PubChem (CID 140961797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).