4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane

C154H102FN5O4Si — CID 157384504

About 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane

4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane (PubChem CID 157384504) has the molecular formula C154H102FN5O4Si and a molecular weight of 2133.62 g/mol. Its IUPAC name is 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane.

Molecular Properties

• Compound Name: 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane
• PubChem CID: 157384504
• Molecular Formula: C154H102FN5O4Si
• Molecular Weight: 2133.62 g/mol
• Exact Mass: 2131.77
• IUPAC Name: 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.Cc1cc(C)cc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c1.Fc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C40H31NOSi.C39H27NO.C38H22N2O.C37H22FNO/c1-43(2,3)27-24-22-26(23-25-27)28-13-10-18-34-39(28)42-37-21-9-6-16-32(37)40(34)31-15-5-8-20-36(31)41-35-19-7-4-12-29(35)30-14-11-17-33(40)38(30)41;1-24-21-25(2)23-26(22-24)27-12-9-17-33-38(27)41-36-20-8-5-15-31(36)39(33)30-14-4-7-19-35(30)40-34-18-6-3-11-28(34)29-13-10-16-32(39)37(29)40;39-23-24-19-21-25(22-20-24)26-10-7-15-32-37(26)41-35-18-6-3-13-30(35)38(32)29-12-2-5-17-34(29)40-33-16-4-1-9-27(33)28-11-8-14-31(38)36(28)40;38-24-21-19-23(20-22-24)25-10-7-15-31-36(25)40-34-18-6-3-13-29(34)37(31)28-12-2-5-17-33(28)39-32-16-4-1-9-26(32)27-11-8-14-30(37)35(27)39/h4-25H,1-3H3;3-23H,1-2H3;1-22H;1-22H
• InChIKey: BLGQMHOEAJADAS-UHFFFAOYSA-N
• XLogP: 38.18
• TPSA: 80.43 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2133.62
LogP ≤ 5	38.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane?

The IUPAC name of 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane (CID 157384504) is 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane.

What is the SMILES notation for 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane?

The canonical SMILES for 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane is C[Si](C)(C)c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.Cc1cc(C)cc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c1.Fc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane?

The InChIKey is BLGQMHOEAJADAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31NOSi.C39H27NO.C38H22N2O.C37H22FNO/c1-43(2,3)27-24-22-26(23-25-27)28-13-10-18-34-39(28)42-37-21-9-6-16-32(37)40(34)31-15-5-8-20-36(31)41-35-19-7-4-12-29(35)30-14-11-17-33(40)38(30)41;1-24-21-25(2)23-26(22-24)27-12-9-17-33-38(27)41-36-20-8-5-15-31(36)39(33)30-14-4-7-19-35(30)40-34-18-6-3-11-28(34)29-13-10-16-32(39)37(29)40;39-23-24-19-21-25(22-20-24)26-10-7-15-32-37(26)41-35-18-6-3-13-30(35)38(32)29-12-2-5-17-34(29)40-33-16-4-1-9-27(33)28-11-8-14-31(38)36(28)40;38-24-21-19-23(20-22-24)25-10-7-15-31-36(25)40-34-18-6-3-13-29(34)37(31)28-12-2-5-17-33(28)39-32-16-4-1-9-26(32)27-11-8-14-30(37)35(27)39/h4-25H,1-3H3;3-23H,1-2H3;1-22H;1-22H.

What are the key properties of 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane?

4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane has a molecular weight of 2133.62 g/mol, XLogP of 38.18, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-(3,5-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylbenzonitrile;trimethyl-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylphenyl)silane is sourced from PubChem (CID 157384504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).