About 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine (PubChem CID 161352071) has the molecular formula C260H188N12
and a molecular weight of 3480.45 g/mol. Its IUPAC name is 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine.
Frequently Asked Questions
What is the IUPAC name of 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?
The IUPAC name of 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine (CID 161352071) is 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine.
What is the SMILES notation for 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?
The canonical SMILES for 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine is Cc1cc(C)cc(N(c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9cc(C)cc(C)c9)c9ccccc9C)cc8cc7n(c4cc3c2)c56)c2ccccc2C)c1.Cc1ccc(N(c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccc(C)cc9)c9cc(C)ccc9C)cc8cc7n(c4cc3c2)c56)c2cc(C)ccc2C)cc1.c1ccc(-c2cc3c4cc5ccc(N(c6ccccc6)c6ccccc6-c6ccccc6)cc5cc4n4c5cc6cc(N(c7ccccc7)c7ccccc7-c7ccccc7)ccc6cc5c(c2)c34)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4cc5c6cc(-c7ccccc7)cc7c8cc9ccc(N(c%10ccccc%10)c%10cccc(-c%11ccccc%11)c%10)cc9cc8n(c5cc4c3)c67)c2)cc1.
What is the InChIKey of 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?
The InChIKey is VOBAWAUTFMZKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H45N3.2C62H49N3/c1-6-20-46(21-7-1)53-42-62-60-40-49-34-36-56(69(54-26-12-4-13-27-54)64-32-18-16-30-58(64)47-22-8-2-9-23-47)38-51(49)44-66(60)71-67-45-52-39-57(37-35-50(52)41-61(67)63(43-53)68(62)71)70(55-28-14-5-15-29-55)65-33-19-17-31-59(65)48-24-10-3-11-25-48;1-6-18-46(19-7-1)49-24-16-30-58(36-49)69(56-26-12-4-13-27-56)60-34-32-51-40-62-64-42-55(48-22-10-3-11-23-48)43-65-63-41-52-33-35-61(39-54(52)45-67(63)71(68(64)65)66(62)44-53(51)38-60)70(57-28-14-5-15-29-57)59-31-17-25-50(37-59)47-20-8-2-9-21-47;1-38-24-39(2)27-52(26-38)63(58-18-12-10-14-42(58)5)50-22-20-45-32-54-56-34-49(44-16-8-7-9-17-44)35-57-55-33-46-21-23-51(31-48(46)37-61(55)65(62(56)57)60(54)36-47(45)30-50)64(59-19-13-11-15-43(59)6)53-28-40(3)25-41(4)29-53;1-38-14-22-50(23-15-38)63(58-28-40(3)12-18-42(58)5)52-26-20-45-32-54-56-34-49(44-10-8-7-9-11-44)35-57-55-33-46-21-27-53(31-48(46)37-61(55)65(62(56)57)60(54)36-47(45)30-52)64(51-24-16-39(2)17-25-51)59-29-41(4)13-19-43(59)6/h2*1-45H;2*7-37H,1-6H3.
What are the key properties of 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?
6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine has a molecular weight of 3480.45 g/mol, XLogP of 73.37, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,5-dimethylphenyl)-6-N,22-N-bis(2-methylphenyl)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(2-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N,14-triphenyl-6-N,22-N-bis(3-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine is sourced from PubChem (CID 161352071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).