N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine

C202H165N5O9Si — CID 159979969

IUPACN,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4oc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)CCC3)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2c([Si](C)(C)C)cccc23)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)cc1.[2H]c1c([2H])c([2H])c(-c2cc(C)cnc2N(c2ccc(CC)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)c([2H])c1[2H]
InChIInChI=1S/C57H45NO2.C52H45NO3Si.C47H36N2O2.C46H39NO2/c1-55(2,3)34-23-27-36(28-24-34)58(37-29-25-35(26-30-37)56(4,5)6)46-33-45-53(54-50(46)40-17-9-14-22-48(40)60-54)52-44(31-32-49-51(52)41-18-10-13-21-47(41)59-49)57(45)42-19-11-7-15-38(42)39-16-8-12-20-43(39)57;1-51(2,3)30-20-22-31(23-21-30)53(32-24-25-34-35-16-13-19-44(57(6,7)8)48(35)56-43(34)28-32)40-29-39-47(50-45(40)37-15-10-12-18-42(37)55-50)46-38(52(39,4)5)27-26-36-33-14-9-11-17-41(33)54-49(36)46;1-5-29-19-21-31(22-20-29)49(46-35(25-28(2)27-48-46)30-13-7-6-8-14-30)38-26-37-43(45-41(38)34-16-10-12-18-40(34)51-45)42-36(47(37,3)4)24-23-33-32-15-9-11-17-39(32)50-44(33)42;1-45(2,3)29-18-21-30(22-19-29)47(31-20-17-27-11-10-12-28(27)25-31)37-26-36-42(44-40(37)34-14-7-9-16-39(34)49-44)41-35(46(36,4)5)24-23-33-32-13-6-8-15-38(32)48-43(33)41/h7-33H,1-6H3;9-29H,1-8H3;6-27H,5H2,1-4H3;6-9,13-26H,10-12H2,1-5H3/i;;6D,7D,8D,13D,14D;
InChIKeyOFQBODQDRAZKNI-LAXMOSKYSA-N
MW2839.68 g/mol
LogP57.14
Rot. Bonds15

About N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine

N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine (PubChem CID 159979969) has the molecular formula C202H165N5O9Si and a molecular weight of 2839.68 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine
PubChem CID159979969
Molecular FormulaC202H165N5O9Si
Molecular Weight2839.68 g/mol
Exact Mass2837.27
IUPAC NameN,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4oc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)CCC3)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2c([Si](C)(C)C)cccc23)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)cc1.[2H]c1c([2H])c([2H])c(-c2cc(C)cnc2N(c2ccc(CC)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)c([2H])c1[2H]
InChIInChI=1S/C57H45NO2.C52H45NO3Si.C47H36N2O2.C46H39NO2/c1-55(2,3)34-23-27-36(28-24-34)58(37-29-25-35(26-30-37)56(4,5)6)46-33-45-53(54-50(46)40-17-9-14-22-48(40)60-54)52-44(31-32-49-51(52)41-18-10-13-21-47(41)59-49)57(45)42-19-11-7-15-38(42)39-16-8-12-20-43(39)57;1-51(2,3)30-20-22-31(23-21-30)53(32-24-25-34-35-16-13-19-44(57(6,7)8)48(35)56-43(34)28-32)40-29-39-47(50-45(40)37-15-10-12-18-42(37)55-50)46-38(52(39,4)5)27-26-36-33-14-9-11-17-41(33)54-49(36)46;1-5-29-19-21-31(22-20-29)49(46-35(25-28(2)27-48-46)30-13-7-6-8-14-30)38-26-37-43(45-41(38)34-16-10-12-18-40(34)51-45)42-36(47(37,3)4)24-23-33-32-15-9-11-17-39(32)50-44(33)42;1-45(2,3)29-18-21-30(22-19-29)47(31-20-17-27-11-10-12-28(27)25-31)37-26-36-42(44-40(37)34-14-7-9-16-39(34)49-44)41-35(46(36,4)5)24-23-33-32-13-6-8-15-38(32)48-43(33)41/h7-33H,1-6H3;9-29H,1-8H3;6-27H,5H2,1-4H3;6-9,13-26H,10-12H2,1-5H3/i;;6D,7D,8D,13D,14D;
InChIKeyOFQBODQDRAZKNI-LAXMOSKYSA-N
XLogP57.14
TPSA144.11 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002839.68
LogP ≤ 557.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine?
The IUPAC name of N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine (CID 159979969) is N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4oc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)CCC3)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2c([Si](C)(C)C)cccc23)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)cc1.[2H]c1c([2H])c([2H])c(-c2cc(C)cnc2N(c2ccc(CC)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)c([2H])c1[2H].
What is the InChIKey of N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine?
The InChIKey is OFQBODQDRAZKNI-LAXMOSKYSA-N. The full InChI is InChI=1S/C57H45NO2.C52H45NO3Si.C47H36N2O2.C46H39NO2/c1-55(2,3)34-23-27-36(28-24-34)58(37-29-25-35(26-30-37)56(4,5)6)46-33-45-53(54-50(46)40-17-9-14-22-48(40)60-54)52-44(31-32-49-51(52)41-18-10-13-21-47(41)59-49)57(45)42-19-11-7-15-38(42)39-16-8-12-20-43(39)57;1-51(2,3)30-20-22-31(23-21-30)53(32-24-25-34-35-16-13-19-44(57(6,7)8)48(35)56-43(34)28-32)40-29-39-47(50-45(40)37-15-10-12-18-42(37)55-50)46-38(52(39,4)5)27-26-36-33-14-9-11-17-41(33)54-49(36)46;1-5-29-19-21-31(22-20-29)49(46-35(25-28(2)27-48-46)30-13-7-6-8-14-30)38-26-37-43(45-41(38)34-16-10-12-18-40(34)51-45)42-36(47(37,3)4)24-23-33-32-15-9-11-17-39(32)50-44(33)42;1-45(2,3)29-18-21-30(22-19-29)47(31-20-17-27-11-10-12-28(27)25-31)37-26-36-42(44-40(37)34-14-7-9-16-39(34)49-44)41-35(46(36,4)5)24-23-33-32-13-6-8-15-38(32)48-43(33)41/h7-33H,1-6H3;9-29H,1-8H3;6-27H,5H2,1-4H3;6-9,13-26H,10-12H2,1-5H3/i;;6D,7D,8D,13D,14D;.
What are the key properties of N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine?
N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine has a molecular weight of 2839.68 g/mol, XLogP of 57.14, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine is sourced from PubChem (CID 159979969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).