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

C57H54N2 — CID 166805926

IUPAC14-(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
SMILESCc1cc2c3c(c1)N(c1cccc4c1-c1ccccc1C4)c1ccc(-c4ccccc4)cc1C3c1cc3c(cc1N2c1ccc(C(C)(C)C)cc1C)C(C)(C)CC3(C)C
InChIInChI=1S/C57H54N2/c1-34-26-50-54-51(27-34)59(48-21-15-19-39-29-38-18-13-14-20-41(38)52(39)48)47-24-22-37(36-16-11-10-12-17-36)30-42(47)53(54)43-31-44-45(57(8,9)33-56(44,6)7)32-49(43)58(50)46-25-23-40(28-35(46)2)55(3,4)5/h10-28,30-32,53H,29,33H2,1-9H3
InChIKeyKRMODMQPSPDVJZ-UHFFFAOYSA-N
MW767.07 g/mol
LogP15.54
Rot. Bonds3

About 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

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 (PubChem CID 166805926) has the molecular formula C57H54N2 and a molecular weight of 767.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-(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
PubChem CID166805926
Molecular FormulaC57H54N2
Molecular Weight767.07 g/mol
Exact Mass766.43
IUPAC Name14-(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
SMILESCc1cc2c3c(c1)N(c1cccc4c1-c1ccccc1C4)c1ccc(-c4ccccc4)cc1C3c1cc3c(cc1N2c1ccc(C(C)(C)C)cc1C)C(C)(C)CC3(C)C
InChIInChI=1S/C57H54N2/c1-34-26-50-54-51(27-34)59(48-21-15-19-39-29-38-18-13-14-20-41(38)52(39)48)47-24-22-37(36-16-11-10-12-17-36)30-42(47)53(54)43-31-44-45(57(8,9)33-56(44,6)7)32-49(43)58(50)46-25-23-40(28-35(46)2)55(3,4)5/h10-28,30-32,53H,29,33H2,1-9H3
InChIKeyKRMODMQPSPDVJZ-UHFFFAOYSA-N
XLogP15.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.07
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
4-tert-butyl-14-(4-tert-butyl-2-methylphenyl)-8-(9H-fluoren-4-yl)-11,18,18,20,20-pentamethyl-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 167393791
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
11-(4-tert-butyl-2-phenylphenyl)-5,5,7,7,14,21,21,23,23-nonamethyl-17-(2-methyl-4-phenylphenyl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12,14,16(27),18,20(24),25-nonaene
CID 167391827
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-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
5-tert-butyl-8-(4-tert-butyl-2-phenylphenyl)-11,18,18,20,20-pentamethyl-14-(2-methyl-4-phenylphenyl)-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 167392151
14-(4-tert-butyl-2-methylphenyl)-8-dibenzofuran-1-yl-11,18,18,20,20-pentamethyl-4-phenyl-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 167392855
8-(4-tert-butyl-2-methylphenyl)-14-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-11,18,18,20,20-pentamethyl-4-phenyl-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 167391712
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
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
18-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,15-pentamethyl-12-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-22-phenyl-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 167391626

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c3c(c1)N(c1cccc4c1-c1ccccc1C4)c1ccc(-c4ccccc4)cc1C3c1cc3c(cc1N2c1ccc(C(C)(C)C)cc1C)C(C)(C)CC3(C)C.
What is the InChIKey of 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?
The InChIKey is KRMODMQPSPDVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H54N2/c1-34-26-50-54-51(27-34)59(48-21-15-19-39-29-38-18-13-14-20-41(38)52(39)48)47-24-22-37(36-16-11-10-12-17-36)30-42(47)53(54)43-31-44-45(57(8,9)33-56(44,6)7)32-49(43)58(50)46-25-23-40(28-35(46)2)55(3,4)5/h10-28,30-32,53H,29,33H2,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 767.07 g/mol, XLogP of 15.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166805926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).