9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C216H130N18O4S2 — CID 157176509

IUPAC9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1cc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1cc(-c2ccc(-c3nc4ccccc4c4nc5ccccn5c34)cc2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1cc(-c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1ccc2c(c1)nc(-c1ccc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc1)c1c2nc2ccccn21.c1ccc2c(c1)nc(-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1)c1c2nc2ccccn21
InChIInChI=1S/2C38H23N3O.2C38H23N3S.2C32H19N3O/c1-3-12-32-30(11-1)37-38(41-21-6-5-14-35(41)40-37)36(39-32)28-9-7-8-26(22-28)24-15-17-25(18-16-24)27-19-20-34-31(23-27)29-10-2-4-13-33(29)42-34;1-3-9-32-30(8-1)37-38(41-22-6-5-11-35(41)40-37)36(39-32)27-18-16-25(17-19-27)24-12-14-26(15-13-24)28-20-21-34-31(23-28)29-7-2-4-10-33(29)42-34;1-3-15-32-30(14-1)37-38(41-20-6-5-17-35(41)40-37)36(39-32)28-12-8-11-26(22-28)24-9-7-10-25(21-24)27-18-19-34-31(23-27)29-13-2-4-16-33(29)42-34;1-3-12-32-30(11-1)37-38(41-21-6-5-14-35(41)40-37)36(39-32)25-17-15-24(16-18-25)26-8-7-9-27(22-26)28-19-20-34-31(23-28)29-10-2-4-13-33(29)42-34;1-3-12-26-24(11-1)31-32(35-17-6-5-14-29(35)34-31)30(33-26)22-9-7-8-20(18-22)21-15-16-28-25(19-21)23-10-2-4-13-27(23)36-28;1-3-9-26-24(8-1)31-32(35-18-6-5-11-29(35)34-31)30(33-26)21-14-12-20(13-15-21)22-16-17-28-25(19-22)23-7-2-4-10-27(23)36-28/h4*1-23H;2*1-19H
InChIKeyAOBKOHVDBSXGGU-UHFFFAOYSA-N
MW3105.67 g/mol
LogP57.22
Rot. Bonds16

About 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 157176509) has the molecular formula C216H130N18O4S2 and a molecular weight of 3105.67 g/mol. Its IUPAC name is 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID157176509
Molecular FormulaC216H130N18O4S2
Molecular Weight3105.67 g/mol
Exact Mass3103.00
IUPAC Name9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1cc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1cc(-c2ccc(-c3nc4ccccc4c4nc5ccccn5c34)cc2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1cc(-c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1ccc2c(c1)nc(-c1ccc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc1)c1c2nc2ccccn21.c1ccc2c(c1)nc(-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1)c1c2nc2ccccn21
InChIInChI=1S/2C38H23N3O.2C38H23N3S.2C32H19N3O/c1-3-12-32-30(11-1)37-38(41-21-6-5-14-35(41)40-37)36(39-32)28-9-7-8-26(22-28)24-15-17-25(18-16-24)27-19-20-34-31(23-27)29-10-2-4-13-33(29)42-34;1-3-9-32-30(8-1)37-38(41-22-6-5-11-35(41)40-37)36(39-32)27-18-16-25(17-19-27)24-12-14-26(15-13-24)28-20-21-34-31(23-28)29-7-2-4-10-33(29)42-34;1-3-15-32-30(14-1)37-38(41-20-6-5-17-35(41)40-37)36(39-32)28-12-8-11-26(22-28)24-9-7-10-25(21-24)27-18-19-34-31(23-27)29-13-2-4-16-33(29)42-34;1-3-12-32-30(11-1)37-38(41-21-6-5-14-35(41)40-37)36(39-32)25-17-15-24(16-18-25)26-8-7-9-27(22-26)28-19-20-34-31(23-28)29-10-2-4-13-33(29)42-34;1-3-12-26-24(11-1)31-32(35-17-6-5-14-29(35)34-31)30(33-26)22-9-7-8-20(18-22)21-15-16-28-25(19-21)23-10-2-4-13-27(23)36-28;1-3-9-26-24(8-1)31-32(35-18-6-5-11-29(35)34-31)30(33-26)21-14-12-20(13-15-21)22-16-17-28-25(19-22)23-7-2-4-10-27(23)36-28/h4*1-23H;2*1-19H
InChIKeyAOBKOHVDBSXGGU-UHFFFAOYSA-N
XLogP57.22
TPSA233.70 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003105.67
LogP ≤ 557.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
CID 157442309
CID 157442309
CID 157652393
CID 157652393
CID 157743742
CID 157743742
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone;[4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone;3-[4-(1H-benzimidazol-2-yl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
CID 159047989
bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide;9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide;9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;4-(4-methylquinolin-2-yl)-3H-dibenzothiophen-3-ide 5,5-dioxide;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 159415504
CID 159485479
CID 159485479
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025
Methane;4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 161510294
CID 161814794
CID 161814794
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-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
CID 161901264
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 157176509) is 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1cc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1cc(-c2ccc(-c3nc4ccccc4c4nc5ccccn5c34)cc2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2nc3ccccc3c3nc4ccccn4c23)c1.c1cc(-c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1ccc2c(c1)nc(-c1ccc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc1)c1c2nc2ccccn21.c1ccc2c(c1)nc(-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1)c1c2nc2ccccn21.
What is the InChIKey of 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is AOBKOHVDBSXGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H23N3O.2C38H23N3S.2C32H19N3O/c1-3-12-32-30(11-1)37-38(41-21-6-5-14-35(41)40-37)36(39-32)28-9-7-8-26(22-28)24-15-17-25(18-16-24)27-19-20-34-31(23-27)29-10-2-4-13-33(29)42-34;1-3-9-32-30(8-1)37-38(41-22-6-5-11-35(41)40-37)36(39-32)27-18-16-25(17-19-27)24-12-14-26(15-13-24)28-20-21-34-31(23-28)29-7-2-4-10-33(29)42-34;1-3-15-32-30(14-1)37-38(41-20-6-5-17-35(41)40-37)36(39-32)28-12-8-11-26(22-28)24-9-7-10-25(21-24)27-18-19-34-31(23-27)29-13-2-4-16-33(29)42-34;1-3-12-32-30(11-1)37-38(41-21-6-5-14-35(41)40-37)36(39-32)25-17-15-24(16-18-25)26-8-7-9-27(22-26)28-19-20-34-31(23-28)29-10-2-4-13-33(29)42-34;1-3-12-26-24(11-1)31-32(35-17-6-5-14-29(35)34-31)30(33-26)22-9-7-8-20(18-22)21-15-16-28-25(19-21)23-10-2-4-13-27(23)36-28;1-3-9-26-24(8-1)31-32(35-18-6-5-11-29(35)34-31)30(33-26)21-14-12-20(13-15-21)22-16-17-28-25(19-22)23-7-2-4-10-27(23)36-28/h4*1-23H;2*1-19H.
What are the key properties of 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 3105.67 g/mol, XLogP of 57.22, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzofuran-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 157176509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).