5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine

C65H50N2Si — CID 158003093

About 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine

5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine (PubChem CID 158003093) has the molecular formula C65H50N2Si and a molecular weight of 887.21 g/mol. Its IUPAC name is 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine.

Molecular Properties

• Compound Name: 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
• PubChem CID: 158003093
• Molecular Formula: C65H50N2Si
• Molecular Weight: 887.21 g/mol
• Exact Mass: 886.37
• IUPAC Name: 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
• SMILES: Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1cc2ccc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)cc2cc1C31c2ccccc2-c2ccccc21
• InChI: InChI=1S/C65H50N2Si/c1-43-21-11-18-32-60(43)66(46-22-7-5-8-23-46)49-37-38-54-55(42-49)50-26-12-13-29-53(50)63-56-40-44-35-36-48(67(47-24-9-6-10-25-47)61-33-19-20-34-62(61)68(2,3)4)39-45(44)41-59(56)65(64(54)63)57-30-16-14-27-51(57)52-28-15-17-31-58(52)65/h5-42H,1-4H3
• InChIKey: QWJMZDPKYMDXGT-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.21
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine?

The IUPAC name of 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine (CID 158003093) is 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine.

What is the SMILES notation for 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine?

The canonical SMILES for 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine is Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1cc2ccc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)cc2cc1C31c2ccccc2-c2ccccc21.

What is the InChIKey of 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine?

The InChIKey is QWJMZDPKYMDXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2Si/c1-43-21-11-18-32-60(43)66(46-22-7-5-8-23-46)49-37-38-54-55(42-49)50-26-12-13-29-53(50)63-56-40-44-35-36-48(67(47-24-9-6-10-25-47)61-33-19-20-34-62(61)68(2,3)4)39-45(44)41-59(56)65(64(54)63)57-30-16-14-27-51(57)52-28-15-17-31-58(52)65/h5-42H,1-4H3.

What are the key properties of 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine?

5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine has a molecular weight of 887.21 g/mol, XLogP of 17.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine is sourced from PubChem (CID 158003093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).