11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine

C85H70N2 — CID 162698445

About 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine

11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine (PubChem CID 162698445) has the molecular formula C85H70N2 and a molecular weight of 1119.51 g/mol. Its IUPAC name is 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine.

Molecular Properties

• Compound Name: 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine
• PubChem CID: 162698445
• Molecular Formula: C85H70N2
• Molecular Weight: 1119.51 g/mol
• Exact Mass: 1118.55
• IUPAC Name: 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4cc5c(cc4c3)C3(c4cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccccc7c6)c6c(c4-5)-c4ccccc4C6(C)C)C4CC5CC(C4)CC3C5)cc21
• InChI: InChI=1S/C85H70N2/c1-82(2)71-24-14-11-21-65(71)67-35-33-63(47-74(67)82)86(60-30-27-52-17-7-9-19-54(52)42-60)61-32-29-56-45-70-76(46-57(56)44-61)85(58-38-50-37-51(40-58)41-59(85)39-50)77-49-78(81-80(79(70)77)69-23-13-16-26-73(69)84(81,5)6)87(62-31-28-53-18-8-10-20-55(53)43-62)64-34-36-68-66-22-12-15-25-72(66)83(3,4)75(68)48-64/h7-36,42-51,58-59H,37-41H2,1-6H3
• InChIKey: KNJWMCLQOIIEOI-UHFFFAOYSA-N
• XLogP: 22.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.51
LogP ≤ 5	22.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine?

The IUPAC name of 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine (CID 162698445) is 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine.

What is the SMILES notation for 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine?

The canonical SMILES for 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4cc5c(cc4c3)C3(c4cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccccc7c6)c6c(c4-5)-c4ccccc4C6(C)C)C4CC5CC(C4)CC3C5)cc21.

What is the InChIKey of 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine?

The InChIKey is KNJWMCLQOIIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H70N2/c1-82(2)71-24-14-11-21-65(71)67-35-33-63(47-74(67)82)86(60-30-27-52-17-7-9-19-54(52)42-60)61-32-29-56-45-70-76(46-57(56)44-61)85(58-38-50-37-51(40-58)41-59(85)39-50)77-49-78(81-80(79(70)77)69-23-13-16-26-73(69)84(81,5)6)87(62-31-28-53-18-8-10-20-55(53)43-62)64-34-36-68-66-22-12-15-25-72(66)83(3,4)75(68)48-64/h7-36,42-51,58-59H,37-41H2,1-6H3.

What are the key properties of 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine?

11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine has a molecular weight of 1119.51 g/mol, XLogP of 22.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine is sourced from PubChem (CID 162698445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).