About N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine
N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine (PubChem CID 158534683) has the molecular formula C150H103N3S3
and a molecular weight of 2043.70 g/mol. Its IUPAC name is N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine.
Frequently Asked Questions
What is the IUPAC name of N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine?
The IUPAC name of N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine (CID 158534683) is N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine.
What is the SMILES notation for N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine?
The canonical SMILES for N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine is Cc1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1cc2sc3c(ccc4c5ccccc5c5ccccc5c43)c2c2ccccc12.Cc1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)c1ccccc1c1cc3sc4ccc5ccccc5c4c3cc21.Cc1ccccc1N(c1ccc(C(C)C)cc1)c1ccc2c(c1)c1ccccc1c1c2ccc2c1sc1ccc3ccccc3c12.
What is the InChIKey of N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine?
The InChIKey is HNUJCDUKRYUBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H35NS.C44H33NS/c1-34-32-38(36-16-6-3-7-17-36)26-31-48(34)54(39-27-24-37(25-28-39)35-14-4-2-5-15-35)49-33-50-51(45-23-13-11-21-43(45)49)47-30-29-46-42-20-9-8-18-40(42)41-19-10-12-22-44(41)52(46)53(47)55-50;1-34-30-39(36-14-6-3-7-15-36)22-28-50(34)54(40-24-20-37(21-25-40)35-12-4-2-5-13-35)41-26-27-45-46(31-41)43-18-10-11-19-44(43)48-33-52-49(32-47(45)48)53-42-17-9-8-16-38(42)23-29-51(53)55-52;1-27(2)29-16-19-31(20-17-29)45(40-15-9-4-10-28(40)3)32-21-22-35-37-23-24-38-42-33-12-6-5-11-30(33)18-25-41(42)46-44(38)43(37)36-14-8-7-13-34(36)39(35)26-32/h2*2-33H,1H3;4-27H,1-3H3.
What are the key properties of N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine?
N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine has a molecular weight of 2043.70 g/mol, XLogP of 45.13, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-6-amine;N-(2-methyl-4-phenylphenyl)-N-(4-phenylphenyl)-14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-amine;N-(2-methylphenyl)-N-(4-propan-2-ylphenyl)-3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-amine is sourced from PubChem (CID 158534683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).