[20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane

C52H40FN3OSi+2 — CID 167355948

About [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane

[20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane (PubChem CID 167355948) has the molecular formula C52H40FN3OSi+2 and a molecular weight of 770.00 g/mol. Its IUPAC name is [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
• PubChem CID: 167355948
• Molecular Formula: C52H40FN3OSi+2
• Molecular Weight: 770.00 g/mol
• Exact Mass: 769.29
• IUPAC Name: [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
• SMILES: Cc1ccccc1-c1ccc2c(c1)oc1c3c(ccc12)C1(c2ccccc2-c2cc(C)c([Si](C)(C)C)c[n+]21)[n+]1c-3n(-c2ccc3ccccc3c2)c2c(F)cccc21
• InChI: InChI=1S/C52H40FN3OSi/c1-31-13-6-9-16-37(31)35-22-24-38-39-25-26-42-48(50(39)57-46(38)29-35)51-55(36-23-21-33-14-7-8-15-34(33)28-36)49-43(53)19-12-20-44(49)56(51)52(42)41-18-11-10-17-40(41)45-27-32(2)47(30-54(45)52)58(3,4)5/h6-30H,1-5H3/q+2
• InChIKey: LPDWPRYHNZLFHE-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.00
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

The IUPAC name of [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane (CID 167355948) is [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane.

What is the SMILES notation for [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

The canonical SMILES for [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane is Cc1ccccc1-c1ccc2c(c1)oc1c3c(ccc12)C1(c2ccccc2-c2cc(C)c([Si](C)(C)C)c[n+]21)[n+]1c-3n(-c2ccc3ccccc3c2)c2c(F)cccc21.

What is the InChIKey of [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

The InChIKey is LPDWPRYHNZLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40FN3OSi/c1-31-13-6-9-16-37(31)35-22-24-38-39-25-26-42-48(50(39)57-46(38)29-35)51-55(36-23-21-33-14-7-8-15-34(33)28-36)49-43(53)19-12-20-44(49)56(51)52(42)41-18-11-10-17-40(41)45-27-32(2)47(30-54(45)52)58(3,4)5/h6-30H,1-5H3/q+2.

What are the key properties of [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

[20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane has a molecular weight of 770.00 g/mol, XLogP of 11.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [20-fluoro-2'-methyl-6-(2-methylphenyl)-22-naphthalen-2-ylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane is sourced from PubChem (CID 167355948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).