5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine

C195H144F4N6Si2 — CID 161431206

About 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine

5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine (PubChem CID 161431206) has the molecular formula C195H144F4N6Si2 and a molecular weight of 2703.50 g/mol. Its IUPAC name is 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine.

Molecular Properties

• Compound Name: 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
• PubChem CID: 161431206
• Molecular Formula: C195H144F4N6Si2
• Molecular Weight: 2703.50 g/mol
• Exact Mass: 2701.09
• IUPAC Name: 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
• SMILES: CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)cc3c3ccccc23)C42c3ccccc3-c3ccccc32)cc1.Fc1cccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5cccc(F)c5)cc3c3ccccc23)C42c3ccccc3-c3ccccc32)c1.Fc1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1c(c2ccc(N(c4ccccc4)c4ccccc4F)cc2c2ccccc12)C31c2ccccc2-c2ccccc21
• InChI: InChI=1S/C73H68N2Si2.2C61H38F2N2/c1-47(2)49-23-28-52(29-24-49)74(54-32-38-58(39-33-54)76(5,6)7)56-36-43-60-51(45-56)27-42-66-70-64-20-12-11-17-61(64)67-46-57(75(53-30-25-50(26-31-53)48(3)4)55-34-40-59(41-35-55)77(8,9)10)37-44-65(67)72(70)73(71(60)66)68-21-15-13-18-62(68)63-19-14-16-22-69(63)73;62-40-15-13-21-44(36-40)64(42-17-3-1-4-18-42)46-30-33-48-39(35-46)29-32-54-58-52-26-8-7-23-49(52)55-38-47(65(43-19-5-2-6-20-43)45-22-14-16-41(63)37-45)31-34-53(55)60(58)61(59(48)54)56-27-11-9-24-50(56)51-25-10-12-28-57(51)61;62-54-27-13-15-29-56(54)64(40-17-3-1-4-18-40)42-32-35-44-39(37-42)31-34-50-58-48-24-8-7-21-45(48)51-38-43(65(41-19-5-2-6-20-41)57-30-16-14-28-55(57)63)33-36-49(51)60(58)61(59(44)50)52-25-11-9-22-46(52)47-23-10-12-26-53(47)61/h11-48H,1-10H3;2*1-38H
• InChIKey: VYAOJRMXCBRQIG-UHFFFAOYSA-N
• XLogP: 53.18
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2703.50
LogP ≤ 5	53.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

The IUPAC name of 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine (CID 161431206) is 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine.

What is the SMILES notation for 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

The canonical SMILES for 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine is CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)cc3c3ccccc23)C42c3ccccc3-c3ccccc32)cc1.Fc1cccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5cccc(F)c5)cc3c3ccccc23)C42c3ccccc3-c3ccccc32)c1.Fc1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1c(c2ccc(N(c4ccccc4)c4ccccc4F)cc2c2ccccc12)C31c2ccccc2-c2ccccc21.

What is the InChIKey of 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

The InChIKey is VYAOJRMXCBRQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H68N2Si2.2C61H38F2N2/c1-47(2)49-23-28-52(29-24-49)74(54-32-38-58(39-33-54)76(5,6)7)56-36-43-60-51(45-56)27-42-66-70-64-20-12-11-17-61(64)67-46-57(75(53-30-25-50(26-31-53)48(3)4)55-34-40-59(41-35-55)77(8,9)10)37-44-65(67)72(70)73(71(60)66)68-21-15-13-18-62(68)63-19-14-16-22-69(63)73;62-40-15-13-21-44(36-40)64(42-17-3-1-4-18-42)46-30-33-48-39(35-46)29-32-54-58-52-26-8-7-23-49(52)55-38-47(65(43-19-5-2-6-20-43)45-22-14-16-41(63)37-45)31-34-53(55)60(58)61(59(48)54)56-27-11-9-24-50(56)51-25-10-12-28-57(51)61;62-54-27-13-15-29-56(54)64(40-17-3-1-4-18-40)42-32-35-44-39(37-42)31-34-50-58-48-24-8-7-21-45(48)51-38-43(65(41-19-5-2-6-20-41)57-30-16-14-28-55(57)63)33-36-49(51)60(58)61(59(44)50)52-25-11-9-22-46(52)47-23-10-12-26-53(47)61/h11-48H,1-10H3;2*1-38H.

What are the key properties of 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine has a molecular weight of 2703.50 g/mol, XLogP of 53.18, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',20-N'-bis(2-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(3-fluorophenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine;5-N',20-N'-bis(4-propan-2-ylphenyl)-5-N',20-N'-bis(4-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine is sourced from PubChem (CID 161431206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).