20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene

C150H92N8O6S — CID 159587605

IUPAC20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
SMILESCc1cc2c(cn1)c(-c1cccc3c1sc1ccccc13)cc1cc3c(cc12)oc1ccccc13.Cc1ccc2c(-c3cccnc3)cc3cc4c(cc3c2n1)oc1ccccc14.Cc1cnc2c(c1)c(-c1ccc3oc4ccccc4c3c1)cc1cc3c(cc12)oc1ccccc13.c1ccc(-c2cc3cc4c(cc3c3nnccc23)oc2ccccc24)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c(cc4c4cnccc34)oc3ccccc35)cc2)cc1
InChIInChI=1S/C37H24N2O.C32H19NO2.C32H19NOS.C25H16N2O.C24H14N2O/c1-3-9-27(10-4-1)39(28-11-5-2-6-12-28)29-17-15-25(16-18-29)32-21-26-22-34-31-13-7-8-14-36(31)40-37(34)23-33(26)35-24-38-20-19-30(32)35;1-18-12-27-23(19-10-11-30-25(13-19)21-6-2-4-8-28(21)34-30)14-20-15-26-22-7-3-5-9-29(22)35-31(26)16-24(20)32(27)33-17-18;1-18-13-25-24-16-30-27(20-7-2-4-11-29(20)34-30)15-19(24)14-26(28(25)17-33-18)23-10-6-9-22-21-8-3-5-12-31(21)35-32(22)23;1-15-8-9-19-20(16-5-4-10-26-14-16)11-17-12-22-18-6-2-3-7-23(18)28-24(22)13-21(17)25(19)27-15;1-2-6-15(7-3-1)19-12-16-13-21-17-8-4-5-9-22(17)27-23(21)14-20(16)24-18(19)10-11-25-26-24/h1-24H;2*2-17H,1H3;2-14H,1H3;1-14H
InChIKeyMJVAFULBDVZXML-UHFFFAOYSA-N
MW2134.50 g/mol
LogP42.22
Rot. Bonds8

About 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene

20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene (PubChem CID 159587605) has the molecular formula C150H92N8O6S and a molecular weight of 2134.50 g/mol. Its IUPAC name is 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene.

Molecular Properties

Compound Name20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
PubChem CID159587605
Molecular FormulaC150H92N8O6S
Molecular Weight2134.50 g/mol
Exact Mass2132.69
IUPAC Name20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
SMILESCc1cc2c(cn1)c(-c1cccc3c1sc1ccccc13)cc1cc3c(cc12)oc1ccccc13.Cc1ccc2c(-c3cccnc3)cc3cc4c(cc3c2n1)oc1ccccc14.Cc1cnc2c(c1)c(-c1ccc3oc4ccccc4c3c1)cc1cc3c(cc12)oc1ccccc13.c1ccc(-c2cc3cc4c(cc3c3nnccc23)oc2ccccc24)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c(cc4c4cnccc34)oc3ccccc35)cc2)cc1
InChIInChI=1S/C37H24N2O.C32H19NO2.C32H19NOS.C25H16N2O.C24H14N2O/c1-3-9-27(10-4-1)39(28-11-5-2-6-12-28)29-17-15-25(16-18-29)32-21-26-22-34-31-13-7-8-14-36(31)40-37(34)23-33(26)35-24-38-20-19-30(32)35;1-18-12-27-23(19-10-11-30-25(13-19)21-6-2-4-8-28(21)34-30)14-20-15-26-22-7-3-5-9-29(22)35-31(26)16-24(20)32(27)33-17-18;1-18-13-25-24-16-30-27(20-7-2-4-11-29(20)34-30)15-19(24)14-26(28(25)17-33-18)23-10-6-9-22-21-8-3-5-12-31(21)35-32(22)23;1-15-8-9-19-20(16-5-4-10-26-14-16)11-17-12-22-18-6-2-3-7-23(18)28-24(22)13-21(17)25(19)27-15;1-2-6-15(7-3-1)19-12-16-13-21-17-8-4-5-9-22(17)27-23(21)14-20(16)24-18(19)10-11-25-26-24/h1-24H;2*2-17H,1H3;2-14H,1H3;1-14H
InChIKeyMJVAFULBDVZXML-UHFFFAOYSA-N
XLogP42.22
TPSA172.31 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002134.50
LogP ≤ 542.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene with MolForge

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Related Compounds

CID 157225149
CID 157225149
15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
CID 159961606
CID 159961606
CID 160035174
CID 160035174
3,3-difluoro-2,4,5,6-tetramethyl-1,2-dihydrocyclopenta[b]naphthalene;3,3-difluoro-2,4,5,6-tetramethyl-1,2-dihydroindene;bis(3,3-difluoro-2,4,5-trimethyl-1,2-dihydroindene);3,6-dimethylpyridazine;1,2,3,7,8-pentamethylnaphthalene;1,2,3,4-tetramethylbenzene;2,5,6,7-tetramethyl-1-benzofuran;2,6,7,8-tetramethyl-2H-chromene;3,4,6,7-tetramethyldibenzofuran;3,4,6,7-tetramethyldibenzothiophene;2,6,7,8-tetramethyl-3,4-dihydro-2H-chromene;2,6,7,8-tetramethylquinoline;bis(2,3,6-trimethylpyridine)
CID 160452334
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid
CID 160645185
CID 160697263
CID 160697263
4-(1,1-Didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160768550
2-Tert-butyl-1-benzothiophene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;4-tert-butyl-1-phenylpyrazole;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 161369268
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
8-[[6-([1]Benzothiolo[3,2-c]pyridin-8-yloxymethyl)-2,8-bis[4-[(4-carbazol-9-yl-2-pyridinyl)methyl]-2,6-dimethylphenyl]dibenzofuran-4-yl]methoxy]-[1]benzothiolo[3,2-c]pyridine
CID 58501578

Frequently Asked Questions

What is the IUPAC name of 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The IUPAC name of 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene (CID 159587605) is 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene.
What is the SMILES notation for 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The canonical SMILES for 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene is Cc1cc2c(cn1)c(-c1cccc3c1sc1ccccc13)cc1cc3c(cc12)oc1ccccc13.Cc1ccc2c(-c3cccnc3)cc3cc4c(cc3c2n1)oc1ccccc14.Cc1cnc2c(c1)c(-c1ccc3oc4ccccc4c3c1)cc1cc3c(cc12)oc1ccccc13.c1ccc(-c2cc3cc4c(cc3c3nnccc23)oc2ccccc24)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c(cc4c4cnccc34)oc3ccccc35)cc2)cc1.
What is the InChIKey of 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The InChIKey is MJVAFULBDVZXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O.C32H19NO2.C32H19NOS.C25H16N2O.C24H14N2O/c1-3-9-27(10-4-1)39(28-11-5-2-6-12-28)29-17-15-25(16-18-29)32-21-26-22-34-31-13-7-8-14-36(31)40-37(34)23-33(26)35-24-38-20-19-30(32)35;1-18-12-27-23(19-10-11-30-25(13-19)21-6-2-4-8-28(21)34-30)14-20-15-26-22-7-3-5-9-29(22)35-31(26)16-24(20)32(27)33-17-18;1-18-13-25-24-16-30-27(20-7-2-4-11-29(20)34-30)15-19(24)14-26(28(25)17-33-18)23-10-6-9-22-21-8-3-5-12-31(21)35-32(22)23;1-15-8-9-19-20(16-5-4-10-26-14-16)11-17-12-22-18-6-2-3-7-23(18)28-24(22)13-21(17)25(19)27-15;1-2-6-15(7-3-1)19-12-16-13-21-17-8-4-5-9-22(17)27-23(21)14-20(16)24-18(19)10-11-25-26-24/h1-24H;2*2-17H,1H3;2-14H,1H3;1-14H.
What are the key properties of 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene has a molecular weight of 2134.50 g/mol, XLogP of 42.22, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene is sourced from PubChem (CID 159587605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).