2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile

C124H88N8O2Si2 — CID 158391405

About 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile

2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile (PubChem CID 158391405) has the molecular formula C124H88N8O2Si2 and a molecular weight of 1778.29 g/mol. Its IUPAC name is 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile.

Molecular Properties

• Compound Name: 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile
• PubChem CID: 158391405
• Molecular Formula: C124H88N8O2Si2
• Molecular Weight: 1778.29 g/mol
• Exact Mass: 1776.66
• IUPAC Name: 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile
• SMILES: [C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)ccc4-3)c3ccc4c(oc5ccccc54)c3-c3cccc4cccc2c34)cc1.c1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccn5)ccc4-3)c3ccc4c(oc5ccccc54)c3-c3cccc4cccc2c34)c2ccccn2)cc1
• InChI: InChI=1S/C67H52N4OSi2.C57H36N4O/c1-69-45-20-24-47(25-21-45)71(49-28-34-53(35-29-49)74(5,6)7)51-31-37-55-54-36-30-50(70(46-22-18-43(42-68)19-23-46)48-26-32-52(33-27-48)73(2,3)4)40-61(54)67(62(55)41-51)59-16-11-13-44-12-10-15-58(64(44)59)65-60(67)39-38-57-56-14-8-9-17-63(56)72-66(57)65;1-3-17-38(18-4-1)60(52-25-9-11-33-58-52)40-27-29-42-43-30-28-41(61(39-19-5-2-6-20-39)53-26-10-12-34-59-53)36-50(43)57(49(42)35-40)47-23-14-16-37-15-13-22-46(54(37)47)55-48(57)32-31-45-44-21-7-8-24-51(44)62-56(45)55/h8-41H,2-7H3;1-36H
• InChIKey: GWZWSAICDSSNFL-UHFFFAOYSA-N
• XLogP: 32.35
• TPSA: 93.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1778.29
LogP ≤ 5	32.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile?

The IUPAC name of 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile (CID 158391405) is 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile.

What is the SMILES notation for 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile?

The canonical SMILES for 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile is [C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)ccc4-3)c3ccc4c(oc5ccccc54)c3-c3cccc4cccc2c34)cc1.c1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccn5)ccc4-3)c3ccc4c(oc5ccccc54)c3-c3cccc4cccc2c34)c2ccccn2)cc1.

What is the InChIKey of 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile?

The InChIKey is GWZWSAICDSSNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N4OSi2.C57H36N4O/c1-69-45-20-24-47(25-21-45)71(49-28-34-53(35-29-49)74(5,6)7)51-31-37-55-54-36-30-50(70(46-22-18-43(42-68)19-23-46)48-26-32-52(33-27-48)73(2,3)4)40-61(54)67(62(55)41-51)59-16-11-13-44-12-10-15-58(64(44)59)65-60(67)39-38-57-56-14-8-9-17-63(56)72-66(57)65;1-3-17-38(18-4-1)60(52-25-9-11-33-58-52)40-27-29-42-43-30-28-41(61(39-19-5-2-6-20-39)53-26-10-12-34-59-53)36-50(43)57(49(42)35-40)47-23-14-16-37-15-13-22-46(54(37)47)55-48(57)32-31-45-44-21-7-8-24-51(44)62-56(45)55/h8-41H,2-7H3;1-36H.

What are the key properties of 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile?

2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile has a molecular weight of 1778.29 g/mol, XLogP of 32.35, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N',7-N'-diphenyl-2-N',7-N'-dipyridin-2-ylspiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2',7'-diamine;4-(N-[7'-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]-4-trimethylsilylanilino)benzonitrile is sourced from PubChem (CID 158391405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).