About 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 160515335) has the molecular formula C135H97N5
and a molecular weight of 1789.30 g/mol. Its IUPAC name is 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
Frequently Asked Questions
What is the IUPAC name of 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 160515335) is 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1ccccn1.CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3cccc4ccccc34)c1c1ccccc21.CC1(C)c2ccccc2-c2cc3c(cc21)c1cc2ccccc2cc1n3-c1cccc2ccccc12.CC1(C)c2ccccc2-c2ccc3c4c5ccccc5ccc4n(-c4cccc5ccccc45)c3c21.
What is the InChIKey of 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is QTOPDHUPLPQWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C35H25N.C30H22N2/c1-35(2)29-16-8-7-15-26(29)27-19-20-28-32-25-14-6-4-11-23(25)18-21-31(32)36(34(28)33(27)35)30-17-9-12-22-10-3-5-13-24(22)30;1-35(2)28-19-9-7-17-26(28)31-24-15-5-6-16-25(24)34-32(33(31)35)27-18-8-10-20-30(27)36(34)29-21-11-13-22-12-3-4-14-23(22)29;1-35(2)30-16-8-7-15-26(30)27-21-34-29(20-31(27)35)28-18-23-11-3-4-12-24(23)19-33(28)36(34)32-17-9-13-22-10-5-6-14-25(22)32;1-30(2)23-15-7-5-13-21(23)26-19-11-3-4-12-20(19)27-22-14-6-8-16-24(22)32(29(27)28(26)30)25-17-9-10-18-31-25/h3*3-21H,1-2H3;3-18H,1-2H3.
What are the key properties of 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 1789.30 g/mol, XLogP of 35.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 160515335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).