About 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine
2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine (PubChem CID 157352296) has the molecular formula C246H260N8O2Si2
and a molecular weight of 3417.01 g/mol. Its IUPAC name is 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine.
Frequently Asked Questions
What is the IUPAC name of 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine?
The IUPAC name of 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine (CID 157352296) is 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine.
What is the SMILES notation for 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine?
The canonical SMILES for 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine is CC(C)c1ccc(N(c2cc(C(C)C)c3ccc4c(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)cc5c6c(cc2c3c46)C(C)(C)CC5)c2cccc3c2oc2ccccc23)cc1.Cc1ccc([Si](C)(C)C)cc1N(c1c(C)cccc1C)c1cc2c3c(cc4c(N(c5cccc([Si](C)(C)C)c5)c5c(C)cccc5C)cc(C(C)C)c5ccc1c3c54)C(C)(C)CC2.Cc1cccc(C)c1N(c1ccc(C(C)(C)C)cc1)c1cc(C(C)C)c2ccc3c(N(c4ccc(C(C)(C)C)cc4)c4c(C)cccc4C)cc4c5c(cc1c2c35)C(C)(C)CC4.Cc1ccccc1N(c1cc(C(C)(C)C)ccc1C)c1cc(C(C)C)c2ccc3c(N(c4ccccc4C)c4cc(C(C)(C)C)ccc4C)cc4c5c(cc1c2c35)C(C)(C)CC4.
What is the InChIKey of 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine?
The InChIKey is BHRHYOOSKGHUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H60N2O2.2C60H66N2.C59H68N2Si2/c1-39(2)41-24-28-44(29-25-41)69(56-21-15-19-50-47-17-11-13-23-60(47)71-65(50)56)58-38-52(40(3)4)48-32-33-51-57(36-42-34-35-67(8,9)54-37-53(58)62(48)63(51)61(42)54)68(45-30-26-43(27-31-45)66(5,6)7)55-20-14-18-49-46-16-10-12-22-59(46)70-64(49)55;1-36(2)46-35-54(62(50-22-18-16-20-38(50)4)52-33-43(59(10,11)12)26-24-40(52)6)47-34-48-55-41(29-30-60(48,13)14)31-53(45-28-27-44(46)56(47)57(45)55)61(49-21-17-15-19-37(49)3)51-32-42(58(7,8)9)25-23-39(51)5;1-36(2)48-35-52(62(57-39(5)19-16-20-40(57)6)45-27-23-43(24-28-45)59(10,11)12)49-34-50-53-41(31-32-60(50,13)14)33-51(47-30-29-46(48)54(49)55(47)53)61(56-37(3)17-15-18-38(56)4)44-25-21-42(22-26-44)58(7,8)9;1-36(2)48-35-53(60(57-38(4)19-16-20-39(57)5)43-23-18-24-44(32-43)62(10,11)12)49-34-50-54-42(29-30-59(50,8)9)31-52(47-28-27-46(48)55(49)56(47)54)61(58-40(6)21-17-22-41(58)7)51-33-45(63(13,14)15)26-25-37(51)3/h10-33,36-40H,34-35H2,1-9H3;15-28,31-36H,29-30H2,1-14H3;15-30,33-36H,31-32H2,1-14H3;16-28,31-36H,29-30H2,1-15H3.
What are the key properties of 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine?
2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine has a molecular weight of 3417.01 g/mol, XLogP of 71.99, 31 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-bis(5-tert-butyl-2-methylphenyl)-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(4-tert-butylphenyl)-2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-9-N-(2-methyl-5-trimethylsilylphenyl)-4-propan-2-yl-2-N-(3-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;9-N-(4-tert-butylphenyl)-2-N,9-N-di(dibenzofuran-4-yl)-14,14-dimethyl-4-propan-2-yl-2-N-(4-propan-2-ylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine is sourced from PubChem (CID 157352296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).