5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine

C67H50F2N2 — CID 137492817

About 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine

5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine (PubChem CID 137492817) has the molecular formula C67H50F2N2 and a molecular weight of 921.15 g/mol. Its IUPAC name is 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine.

Molecular Properties

• Compound Name: 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine
• PubChem CID: 137492817
• Molecular Formula: C67H50F2N2
• Molecular Weight: 921.15 g/mol
• Exact Mass: 920.39
• IUPAC Name: 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc(N(c3ccc(F)cc3)c3ccc(C(C)C)cc3)c3ccccc3c2C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C67H50F2N2/c1-41(2)43-21-29-47(30-22-43)70(48-33-25-45(68)26-34-48)51-37-38-58-59(39-51)52-13-5-7-17-56(52)64-60-40-63(71(50-35-27-46(69)28-36-50)49-31-23-44(24-32-49)42(3)4)55-16-6-8-18-57(55)65(60)67(66(58)64)61-19-11-9-14-53(61)54-15-10-12-20-62(54)67/h5-42H,1-4H3
• InChIKey: QUUZBDRTVNGDKL-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.15
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine?

The IUPAC name of 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine (CID 137492817) is 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine.

What is the SMILES notation for 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine?

The canonical SMILES for 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine is CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc(N(c3ccc(F)cc3)c3ccc(C(C)C)cc3)c3ccccc3c2C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine?

The InChIKey is QUUZBDRTVNGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50F2N2/c1-41(2)43-21-29-47(30-22-43)70(48-33-25-45(68)26-34-48)51-37-38-58-59(39-51)52-13-5-7-17-56(52)64-60-40-63(71(50-35-27-46(69)28-36-50)49-31-23-44(24-32-49)42(3)4)55-16-6-8-18-57(55)65(60)67(66(58)64)61-19-11-9-14-53(61)54-15-10-12-20-62(54)67/h5-42H,1-4H3.

What are the key properties of 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine?

5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine has a molecular weight of 921.15 g/mol, XLogP of 18.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',17-N'-bis(4-fluorophenyl)-5-N',17-N'-bis(4-propan-2-ylphenyl)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),16,18,20,22-dodecaene]-5',17'-diamine is sourced from PubChem (CID 137492817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).