5-N',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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

C201H156N6 — CID 158831639

About 5-N',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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 158831639) has the molecular formula C201H156N6 and a molecular weight of 2655.50 g/mol. Its IUPAC name is 5-N',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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: 158831639
• Molecular Formula: C201H156N6
• Molecular Weight: 2655.50 g/mol
• Exact Mass: 2653.24
• IUPAC Name: 5-N',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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: CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc23)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc(C(C)C)cc4)ccc23)cc1.CCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc(CC)cc4)ccc23)cc1
• InChI: InChI=1S/C69H56N2.C67H52N2.C65H48N2/c1-67(2,3)47-30-35-51(36-31-47)70(49-19-9-7-10-20-49)53-34-29-45-42-61-64(43-46(45)41-53)69(62-27-17-15-24-56(62)57-25-16-18-28-63(57)69)66-59-40-39-54(44-60(59)55-23-13-14-26-58(55)65(61)66)71(50-21-11-8-12-22-50)52-37-32-48(33-38-52)68(4,5)6;1-43(2)45-27-32-51(33-28-45)68(49-17-7-5-8-18-49)53-36-31-47-40-61-64(41-48(47)39-53)67(62-25-15-13-22-56(62)57-23-14-16-26-63(57)67)66-59-38-37-54(42-60(59)55-21-11-12-24-58(55)65(61)66)69(50-19-9-6-10-20-50)52-34-29-46(30-35-52)44(3)4;1-3-43-27-32-49(33-28-43)66(47-17-7-5-8-18-47)51-36-31-45-40-59-62(41-46(45)39-51)65(60-25-15-13-22-54(60)55-23-14-16-26-61(55)65)64-57-38-37-52(42-58(57)53-21-11-12-24-56(53)63(59)64)67(48-19-9-6-10-20-48)50-34-29-44(4-2)30-35-50/h7-44H,1-6H3;5-44H,1-4H3;5-42H,3-4H2,1-2H3
• InChIKey: IXCQTKYNQBXDDV-UHFFFAOYSA-N
• XLogP: 55.25
• 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	2655.50
LogP ≤ 5	55.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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 158831639) is 5-N',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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 CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc23)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc(C(C)C)cc4)ccc23)cc1.CCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc(CC)cc4)ccc23)cc1.

What is the InChIKey of 5-N',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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 IXCQTKYNQBXDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N2.C67H52N2.C65H48N2/c1-67(2,3)47-30-35-51(36-31-47)70(49-19-9-7-10-20-49)53-34-29-45-42-61-64(43-46(45)41-53)69(62-27-17-15-24-56(62)57-25-16-18-28-63(57)69)66-59-40-39-54(44-60(59)55-23-13-14-26-58(55)65(61)66)71(50-21-11-8-12-22-50)52-37-32-48(33-38-52)68(4,5)6;1-43(2)45-27-32-51(33-28-45)68(49-17-7-5-8-18-49)53-36-31-47-40-61-64(41-48(47)39-53)67(62-25-15-13-22-56(62)57-23-14-16-26-63(57)67)66-59-38-37-54(42-60(59)55-21-11-12-24-58(55)65(61)66)69(50-19-9-6-10-20-50)52-34-29-46(30-35-52)44(3)4;1-3-43-27-32-49(33-28-43)66(47-17-7-5-8-18-47)51-36-31-45-40-59-62(41-46(45)39-51)65(60-25-15-13-22-54(60)55-23-14-16-26-61(55)65)64-57-38-37-52(42-58(57)53-21-11-12-24-56(53)63(59)64)67(48-19-9-6-10-20-48)50-34-29-44(4-2)30-35-50/h7-44H,1-6H3;5-44H,1-4H3;5-42H,3-4H2,1-2H3.

What are the key properties of 5-N',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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',20-N'-bis(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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 2655.50 g/mol, XLogP of 55.25, 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(4-tert-butylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-bis(4-ethylphenyl)-5-N',20-N'-diphenylspiro[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',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)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 158831639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).