About 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 162225364) has the molecular formula C208H122F10N12O8
and a molecular weight of 3107.32 g/mol. Its IUPAC name is 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.
Frequently Asked Questions
What is the IUPAC name of 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The IUPAC name of 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 162225364) is 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.
What is the SMILES notation for 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The canonical SMILES for 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is Cc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7ccc(C(F)(F)F)cc7)ccc6cc5c3cc24)cc1.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1cc2oc4cc5cc(N(c6ccccc6)c6ccccc6C(F)(F)F)ccc5cc4c2cc13.Fc1ccc(N(c2ccc(F)cc2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccc(F)cc7)c7ccc(F)cc7)ccc6cc5c3cc24)cc1.[C-]#[N+]c1ccc(N(c2ccc([N+]#[C-])cc2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccc(C#N)cc7)c7ccc(C#N)cc7)ccc6cc5c3cc24)cc1.
What is the InChIKey of 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The InChIKey is ZURKDOMSPZZGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H28N6O2.2C52H33F3N2O2.C50H28F4N2O2/c1-57-39-9-19-43(20-10-39)60(44-21-11-40(58-2)12-22-44)46-18-8-36-26-48-50-29-49-47-25-35-7-17-45(59(41-13-3-33(31-55)4-14-41)42-15-5-34(32-56)6-16-42)23-37(35)27-51(47)61-53(49)30-54(50)62-52(48)28-38(36)24-46;1-32-12-8-10-18-46(32)56(37-13-4-2-5-14-37)39-22-20-33-26-41-43-30-44-42-27-34-21-23-40(57(38-15-6-3-7-16-38)47-19-11-9-17-45(47)52(53,54)55)25-36(34)29-49(42)59-51(44)31-50(43)58-48(41)28-35(33)24-39;1-32-12-18-40(19-13-32)56(38-8-4-2-5-9-38)42-20-14-33-26-44-46-30-47-45-27-34-15-21-43(57(39-10-6-3-7-11-39)41-22-16-37(17-23-41)52(53,54)55)25-36(34)29-49(45)59-51(47)31-50(46)58-48(44)28-35(33)24-42;51-33-3-13-37(14-4-33)55(38-15-5-34(52)6-16-38)41-11-1-29-23-43-45-27-46-44-24-30-2-12-42(56(39-17-7-35(53)8-18-39)40-19-9-36(54)10-20-40)22-32(30)26-48(44)58-50(46)28-49(45)57-47(43)25-31(29)21-41/h3-30H;2*2-31H,1H3;1-28H.
What are the key properties of 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 3107.32 g/mol, XLogP of 62.98, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-N-[23-(4-isocyano-N-(4-isocyanophenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]anilino)benzonitrile;9-N-(2-methylphenyl)-9-N,23-N-diphenyl-23-N-[2-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N-(4-methylphenyl)-9-N,23-N-diphenyl-23-N-[4-(trifluoromethyl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 162225364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).