About 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene
18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene (PubChem CID 157175843) has the molecular formula C245H170N14OS
and a molecular weight of 3358.22 g/mol. Its IUPAC name is 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene.
Frequently Asked Questions
What is the IUPAC name of 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene?
The IUPAC name of 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene (CID 157175843) is 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene.
What is the SMILES notation for 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene?
The canonical SMILES for 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene is CC1(C)c2cccc(-c3cccc4ccccc34)c2-c2ccccc2-c2ccc3c(-c4ccccc4)c(-c4ccccc4)sc3c21.CC1(C)c2ccccc2-c2ccccc2-c2cc3ccn(-c4ccccc4-c4nc5ccccc5c5ncccc45)c3cc21.Cc1ncccc1-n1ccc2cc3c(cc21)-c1ccccc1-c1ccccc1N3c1cc(-c2ccccc2)cc2ccccc12.Cc1oc2cc3c(cc2c1C)-c1ccccc1-c1ccccc1N3c1cccc(-c2ccc3ccccc3n2)c1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4ccccc4-c4cc5ccn(-c6ccccc6)c5cc43)c2)cc1.c1ccc(-n2ccc3cc4c(cc32)N(c2cc(-c3ccncc3)ccn2)c2ccccc2-c2ccccc2-4)cc1.
What is the InChIKey of 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene?
The InChIKey is ANZLHTPOYGYJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32S.C44H30N2.C42H29N3.C41H29N3.C37H26N2O.C36H24N4/c1-45(2)39-26-14-25-36(33-24-13-20-29-15-9-10-21-32(29)33)41(39)35-23-12-11-22-34(35)37-27-28-38-40(30-16-5-3-6-17-30)43(46-44(38)42(37)45)31-18-7-4-8-19-31;1-4-14-31(15-5-1)34-26-35(32-16-6-2-7-17-32)28-37(27-34)46-42-23-13-12-22-40(42)38-20-10-11-21-39(38)41-29-33-24-25-45(43(33)30-44(41)46)36-18-8-3-9-19-36;1-28-38(20-11-22-43-28)44-23-21-31-25-42-37(27-40(31)44)35-17-8-7-16-34(35)36-18-9-10-19-39(36)45(42)41-26-32(29-12-3-2-4-13-29)24-30-14-5-6-15-33(30)41;1-41(2)34-18-8-5-14-29(34)27-12-3-4-13-28(27)33-24-26-21-23-44(38(26)25-35(33)41)37-20-10-7-16-31(37)40-32-17-11-22-42-39(32)30-15-6-9-19-36(30)43-40;1-23-24(2)40-37-22-36-32(21-31(23)37)29-14-5-4-13-28(29)30-15-6-8-17-35(30)39(36)27-12-9-11-26(20-27)34-19-18-25-10-3-7-16-33(25)38-34;1-2-8-28(9-3-1)39-21-17-27-22-32-30-11-5-4-10-29(30)31-12-6-7-13-33(31)40(35(32)24-34(27)39)36-23-26(16-20-38-36)25-14-18-37-19-15-25/h3-28H,1-2H3;1-30H;2-27H,1H3;3-25H,1-2H3;3-22H,1-2H3;1-24H.
What are the key properties of 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene?
18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene has a molecular weight of 3358.22 g/mol, XLogP of 66.34, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(2-benzo[h][1,6]naphthyridin-5-ylphenyl)-14,14-dimethyl-18-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14,14-dimethyl-9-naphthalen-1-yl-18,19-diphenyl-17-thiapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;19,20-dimethyl-14-(3-quinolin-2-ylphenyl)-18-oxa-14-azapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;14-(3,5-diphenylphenyl)-18-phenyl-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene;20-(2-methyl-3-pyridinyl)-14-(3-phenylnaphthalen-1-yl)-14,20-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,18,21-decaene;18-phenyl-14-(4-pyridin-4-yl-2-pyridinyl)-14,18-diazapentacyclo[13.7.0.02,7.08,13.017,21]docosa-1(15),2,4,6,8,10,12,16,19,21-decaene is sourced from PubChem (CID 157175843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).