14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene

C125H95N11O2S2 — CID 158274106

IUPAC14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene
SMILESCC1(C)c2ccccc2-c2nccnc2-c2ccc3c(-c4cccnc4)c(-c4cccnc4)sc3c21.CCc1nc2ccc3c(c2s1)C(C)(C)c1cnccc1-c1c(-c2ccccc2)ccc(-c2ccccc2)c1-3.Cc1c(C)n(-c2ccc3ccccc3c2)c2ccc3c(c12)Oc1nccnc1-c1ccccc1-3.Cc1cnc(-c2cc3c(c4c2N=CC4(C)C)Oc2ccccc2-c2ccccc2-3)c(C)c1
InChIInChI=1S/C35H28N2S.C31H22N4S.C30H21N3O.C29H24N2O/c1-4-30-37-29-18-17-27-32-25(23-13-9-6-10-14-23)16-15-24(22-11-7-5-8-12-22)31(32)26-19-20-36-21-28(26)35(2,3)33(27)34(29)38-30;1-31(2)24-10-4-3-9-21(24)27-28(35-16-15-34-27)23-12-11-22-25(19-7-5-13-32-17-19)29(36-30(22)26(23)31)20-8-6-14-33-18-20;1-18-19(2)33(22-12-11-20-7-3-4-8-21(20)17-22)26-14-13-25-23-9-5-6-10-24(23)28-30(32-16-15-31-28)34-29(25)27(18)26;1-17-13-18(2)26(30-15-17)23-14-22-20-10-6-5-9-19(20)21-11-7-8-12-24(21)32-28(22)25-27(23)31-16-29(25,3)4/h5-21H,4H2,1-3H3;3-18H,1-2H3;3-17H,1-2H3;5-16H,1-4H3
InChIKeyGJJYGJKCCMEWPF-UHFFFAOYSA-N
MW1847.34 g/mol
LogP32.78
Rot. Bonds7

About 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene

14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene (PubChem CID 158274106) has the molecular formula C125H95N11O2S2 and a molecular weight of 1847.34 g/mol. Its IUPAC name is 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene.

Molecular Properties

Compound Name14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene
PubChem CID158274106
Molecular FormulaC125H95N11O2S2
Molecular Weight1847.34 g/mol
Exact Mass1845.71
IUPAC Name14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene
SMILESCC1(C)c2ccccc2-c2nccnc2-c2ccc3c(-c4cccnc4)c(-c4cccnc4)sc3c21.CCc1nc2ccc3c(c2s1)C(C)(C)c1cnccc1-c1c(-c2ccccc2)ccc(-c2ccccc2)c1-3.Cc1c(C)n(-c2ccc3ccccc3c2)c2ccc3c(c12)Oc1nccnc1-c1ccccc1-3.Cc1cnc(-c2cc3c(c4c2N=CC4(C)C)Oc2ccccc2-c2ccccc2-3)c(C)c1
InChIInChI=1S/C35H28N2S.C31H22N4S.C30H21N3O.C29H24N2O/c1-4-30-37-29-18-17-27-32-25(23-13-9-6-10-14-23)16-15-24(22-11-7-5-8-12-22)31(32)26-19-20-36-21-28(26)35(2,3)33(27)34(29)38-30;1-31(2)24-10-4-3-9-21(24)27-28(35-16-15-34-27)23-12-11-22-25(19-7-5-13-32-17-19)29(36-30(22)26(23)31)20-8-6-14-33-18-20;1-18-19(2)33(22-12-11-20-7-3-4-8-21(20)17-22)26-14-13-25-23-9-5-6-10-24(23)28-30(32-16-15-31-28)34-29(25)27(18)26;1-17-13-18(2)26(30-15-17)23-14-22-20-10-6-5-9-19(20)21-11-7-8-12-24(21)32-28(22)25-27(23)31-16-29(25,3)4/h5-21H,4H2,1-3H3;3-18H,1-2H3;3-17H,1-2H3;5-16H,1-4H3
InChIKeyGJJYGJKCCMEWPF-UHFFFAOYSA-N
XLogP32.78
TPSA151.76 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.34
LogP ≤ 532.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene with MolForge

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Related Compounds

2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole
CID 157123871
14,14-Dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene
CID 157363380
2-tert-butyl-1,3-dihydroisoindole;4-tert-butyl-2-(2,3-dihydrothiophen-5-yl)quinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole;2-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 157680647
2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole;methane
CID 157876863
9-Tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;8-tert-butyl-6-phenyl-1,2-dihydrobenzo[e][1]benzofuran;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline
CID 161710991

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene?
The IUPAC name of 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene (CID 158274106) is 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene.
What is the SMILES notation for 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene?
The canonical SMILES for 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene is CC1(C)c2ccccc2-c2nccnc2-c2ccc3c(-c4cccnc4)c(-c4cccnc4)sc3c21.CCc1nc2ccc3c(c2s1)C(C)(C)c1cnccc1-c1c(-c2ccccc2)ccc(-c2ccccc2)c1-3.Cc1c(C)n(-c2ccc3ccccc3c2)c2ccc3c(c12)Oc1nccnc1-c1ccccc1-3.Cc1cnc(-c2cc3c(c4c2N=CC4(C)C)Oc2ccccc2-c2ccccc2-3)c(C)c1.
What is the InChIKey of 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene?
The InChIKey is GJJYGJKCCMEWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2S.C31H22N4S.C30H21N3O.C29H24N2O/c1-4-30-37-29-18-17-27-32-25(23-13-9-6-10-14-23)16-15-24(22-11-7-5-8-12-22)31(32)26-19-20-36-21-28(26)35(2,3)33(27)34(29)38-30;1-31(2)24-10-4-3-9-21(24)27-28(35-16-15-34-27)23-12-11-22-25(19-7-5-13-32-17-19)29(36-30(22)26(23)31)20-8-6-14-33-18-20;1-18-19(2)33(22-12-11-20-7-3-4-8-21(20)17-22)26-14-13-25-23-9-5-6-10-24(23)28-30(32-16-15-31-28)34-29(25)27(18)26;1-17-13-18(2)26(30-15-17)23-14-22-20-10-6-5-9-19(20)21-11-7-8-12-24(21)32-28(22)25-27(23)31-16-29(25,3)4/h5-21H,4H2,1-3H3;3-18H,1-2H3;3-17H,1-2H3;5-16H,1-4H3.
What are the key properties of 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene?
14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene has a molecular weight of 1847.34 g/mol, XLogP of 32.78, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;17,18-dimethyl-19-naphthalen-2-yl-14-oxa-9,12,19-triazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),17,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene is sourced from PubChem (CID 158274106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).