[22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane

C62H51N3OSi+2 — CID 167355959

About [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane

[22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane (PubChem CID 167355959) has the molecular formula C62H51N3OSi+2 and a molecular weight of 882.20 g/mol. Its IUPAC name is [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
• PubChem CID: 167355959
• Molecular Formula: C62H51N3OSi+2
• Molecular Weight: 882.20 g/mol
• Exact Mass: 881.38
• IUPAC Name: [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
• SMILES: CC(C)Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccc(-c4ccccc4)cc3-2)c2ccc3c(oc4ccccc43)c2-c2n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c3ccccc3[n+]21
• InChI: InChI=1S/C62H51N3OSi/c1-40(2)35-46-38-55-50-36-44(41-19-9-6-10-20-41)30-33-51(50)62(63(55)39-58(46)67(3,4)5)52-34-32-49-48-25-15-18-28-57(48)66-60(49)59(52)61-64(53-26-16-17-27-54(53)65(61)62)56-37-45(42-21-11-7-12-22-42)29-31-47(56)43-23-13-8-14-24-43/h6-34,36-40H,35H2,1-5H3/q+2
• InChIKey: GLDWULPPSADXFN-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.20
LogP ≤ 5	14.11
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 [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

The IUPAC name of [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane (CID 167355959) is [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane.

What is the SMILES notation for [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

The canonical SMILES for [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane is CC(C)Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccc(-c4ccccc4)cc3-2)c2ccc3c(oc4ccccc43)c2-c2n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c3ccccc3[n+]21.

What is the InChIKey of [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

The InChIKey is GLDWULPPSADXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N3OSi/c1-40(2)35-46-38-55-50-36-44(41-19-9-6-10-20-41)30-33-51(50)62(63(55)39-58(46)67(3,4)5)52-34-32-49-48-25-15-18-28-57(48)66-60(49)59(52)61-64(53-26-16-17-27-54(53)65(61)62)56-37-45(42-21-11-7-12-22-42)29-31-47(56)43-23-13-8-14-24-43/h6-34,36-40H,35H2,1-5H3/q+2.

What are the key properties of [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane?

[22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane has a molecular weight of 882.20 g/mol, XLogP of 14.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [22-(2,5-diphenylphenyl)-2'-(2-methylpropyl)-9'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane is sourced from PubChem (CID 167355959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).