11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene

C66H78N2 — CID 166805894

About 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene

11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene (PubChem CID 166805894) has the molecular formula C66H78N2 and a molecular weight of 899.36 g/mol. Its IUPAC name is 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene.

Molecular Properties

• Compound Name: 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene
• PubChem CID: 166805894
• Molecular Formula: C66H78N2
• Molecular Weight: 899.36 g/mol
• Exact Mass: 898.62
• IUPAC Name: 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene
• SMILES: Cc1cc2c(cc1N1c3cc4c(cc3C3c5ccc(C(C)(C)c6ccccc6)cc5N(c5ccc6c(c5)C(C)(C)CC6(C)C)c5cc(C(C)(C)C)cc1c53)C(C)(C)CC4(C)C)C(C)(C)CC2(C)C
• InChI: InChI=1S/C66H78N2/c1-39-28-47-50(64(13,14)37-61(47,7)8)34-52(39)68-54-35-51-49(63(11,12)38-65(51,15)16)33-45(54)57-44-26-24-41(66(17,18)40-22-20-19-21-23-40)29-53(44)67(55-30-42(59(2,3)4)31-56(68)58(55)57)43-25-27-46-48(32-43)62(9,10)36-60(46,5)6/h19-35,57H,36-38H2,1-18H3
• InChIKey: ZQZYIGUMFNRPJJ-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.36
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene?

The IUPAC name of 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene (CID 166805894) is 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene.

What is the SMILES notation for 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene?

The canonical SMILES for 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene is Cc1cc2c(cc1N1c3cc4c(cc3C3c5ccc(C(C)(C)c6ccccc6)cc5N(c5ccc6c(c5)C(C)(C)CC6(C)C)c5cc(C(C)(C)C)cc1c53)C(C)(C)CC4(C)C)C(C)(C)CC2(C)C.

What is the InChIKey of 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene?

The InChIKey is ZQZYIGUMFNRPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H78N2/c1-39-28-47-50(64(13,14)37-61(47,7)8)34-52(39)68-54-35-51-49(63(11,12)38-65(51,15)16)33-45(54)57-44-26-24-41(66(17,18)40-22-20-19-21-23-40)29-53(44)67(55-30-42(59(2,3)4)31-56(68)58(55)57)43-25-27-46-48(32-43)62(9,10)36-60(46,5)6/h19-35,57H,36-38H2,1-18H3.

What are the key properties of 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene?

11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene has a molecular weight of 899.36 g/mol, XLogP of 18.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-tert-butyl-18,18,20,20-tetramethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-(2-phenylpropan-2-yl)-8-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene is sourced from PubChem (CID 166805894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).