5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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

C58H70N2 — CID 166805872

IUPAC5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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
SMILESCc1cc2c3c(c1)N(c1cc4c(cc1C)C(C)(C)CC4(C)C)c1cc4c(cc1C3c1ccc(C(C)(C)C)cc1N2c1ccc2c(c1)C(C)(C)CC2(C)C)C(C)(C)CC4(C)C
InChIInChI=1S/C58H70N2/c1-33-22-48-51-49(23-33)60(45-28-43-40(24-34(45)2)54(8,9)31-57(43,14)15)47-29-44-42(56(12,13)32-58(44,16)17)27-38(47)50(51)37-20-18-35(52(3,4)5)25-46(37)59(48)36-19-21-39-41(26-36)55(10,11)30-53(39,6)7/h18-29,50H,30-32H2,1-17H3
InChIKeyQMDFMANXTNNLGE-UHFFFAOYSA-N
MW795.21 g/mol
LogP16.22
Rot. Bonds2

About 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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

5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 166805872) has the molecular formula C58H70N2 and a molecular weight of 795.21 g/mol. Its IUPAC name is 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 Name5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 CID166805872
Molecular FormulaC58H70N2
Molecular Weight795.21 g/mol
Exact Mass794.55
IUPAC Name5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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
SMILESCc1cc2c3c(c1)N(c1cc4c(cc1C)C(C)(C)CC4(C)C)c1cc4c(cc1C3c1ccc(C(C)(C)C)cc1N2c1ccc2c(c1)C(C)(C)CC2(C)C)C(C)(C)CC4(C)C
InChIInChI=1S/C58H70N2/c1-33-22-48-51-49(23-33)60(45-28-43-40(24-34(45)2)54(8,9)31-57(43,14)15)47-29-44-42(56(12,13)32-58(44,16)17)27-38(47)50(51)37-20-18-35(52(3,4)5)25-46(37)59(48)36-19-21-39-41(26-36)55(10,11)30-53(39,6)7/h18-29,50H,30-32H2,1-17H3
InChIKeyQMDFMANXTNNLGE-UHFFFAOYSA-N
XLogP16.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.21
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 with MolForge

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Related Compounds

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
14-(4-tert-butyl-2-phenylphenyl)-11,18,18,20,20-pentamethyl-8-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-5-phenyl-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaene
CID 166805954
5-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-11,18,18,20,20-pentamethyl-8,14-bis(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-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 166805978
11-tert-butyl-8-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-18,18,20,20-tetramethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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-nonaen-5-amine
CID 166805874
4-tert-butyl-8-(4-tert-butyl-2-methylphenyl)-11,18,18,20,20-pentamethyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaene
CID 167392815
5,11-ditert-butyl-18,18,20,20-tetramethyl-8-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaene
CID 167394123
5-tert-butyl-18,18,20,20-tetramethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-11-(trideuteriomethyl)-8,14-diaza-1-borahexacyclo[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 167394396
14-(4-tert-butyl-2-methylphenyl)-8-(9H-fluoren-4-yl)-11,18,18,20,20-pentamethyl-4-phenyl-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 166805926
21-tert-butyl-18-(3-tert-butylphenyl)-5,5,8,8,15-pentamethyl-12-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13,15,17(25),19(24),20,22-nonaene
CID 167395144
24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene
CID 168806295
21-tert-butyl-5,5,8,8,15-pentamethyl-12,18-bis(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13,15,17(25),19(24),20,22-nonaene
CID 167390861
34-tert-butyl-24-dibenzothiophen-4-yl-5,5,9,9,16,16,20,20,27-nonamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadecacyclo[23.14.1.02,23.04,21.06,19.08,17.010,15.029,40.031,39.032,37]tetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(40),31(39),32(37),33,35-hexadecaene
CID 168806319

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 166805872) is 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 Cc1cc2c3c(c1)N(c1cc4c(cc1C)C(C)(C)CC4(C)C)c1cc4c(cc1C3c1ccc(C(C)(C)C)cc1N2c1ccc2c(c1)C(C)(C)CC2(C)C)C(C)(C)CC4(C)C.
What is the InChIKey of 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 QMDFMANXTNNLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H70N2/c1-33-22-48-51-49(23-33)60(45-28-43-40(24-34(45)2)54(8,9)31-57(43,14)15)47-29-44-42(56(12,13)32-58(44,16)17)27-38(47)50(51)37-20-18-35(52(3,4)5)25-46(37)59(48)36-19-21-39-41(26-36)55(10,11)30-53(39,6)7/h18-29,50H,30-32H2,1-17H3.
What are the key properties of 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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?
5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 795.21 g/mol, XLogP of 16.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-11,18,18,20,20-pentamethyl-14-(1,1,3,3,6-pentamethyl-2H-inden-5-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 166805872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).