8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C120H72N10O3S — CID 157233701

IUPAC8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cc(-n3c4cnccc4c4ccncc43)cc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-n4c5cnccc5c5ccncc54)c3)cc12
InChIInChI=1S/C45H27N5O.C40H23N3OS.C35H22N2O/c1-3-11-39-37(10-1)45-40(12-6-18-48-45)49(39)32-22-31(23-33(25-32)50-41-26-46-19-16-34(41)35-17-20-47-27-42(35)50)29-8-5-7-28(21-29)30-14-15-44-38(24-30)36-9-2-4-13-43(36)51-44;1-3-7-37-31(5-1)33-20-24(9-11-38(33)44-37)26-17-27(25-10-12-40-34(21-25)32-6-2-4-8-39(32)45-40)19-28(18-26)43-35-22-41-15-13-29(35)30-14-16-42-23-36(30)43;1-3-13-32-28(11-1)29-17-18-36-22-33(29)37(32)27-10-6-9-25(20-27)23-7-5-8-24(19-23)26-15-16-35-31(21-26)30-12-2-4-14-34(30)38-35/h1-27H;1-23H;1-22H
InChIKeyAUJUXLMOIDBYGJ-UHFFFAOYSA-N
MW1734.03 g/mol
LogP31.89
Rot. Bonds10

About 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157233701) has the molecular formula C120H72N10O3S and a molecular weight of 1734.03 g/mol. Its IUPAC name is 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157233701
Molecular FormulaC120H72N10O3S
Molecular Weight1734.03 g/mol
Exact Mass1732.55
IUPAC Name8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cc(-n3c4cnccc4c4ccncc43)cc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-n4c5cnccc5c5ccncc54)c3)cc12
InChIInChI=1S/C45H27N5O.C40H23N3OS.C35H22N2O/c1-3-11-39-37(10-1)45-40(12-6-18-48-45)49(39)32-22-31(23-33(25-32)50-41-26-46-19-16-34(41)35-17-20-47-27-42(35)50)29-8-5-7-28(21-29)30-14-15-44-38(24-30)36-9-2-4-13-43(36)51-44;1-3-7-37-31(5-1)33-20-24(9-11-38(33)44-37)26-17-27(25-10-12-40-34(21-25)32-6-2-4-8-39(32)45-40)19-28(18-26)43-35-22-41-15-13-29(35)30-14-16-42-23-36(30)43;1-3-13-32-28(11-1)29-17-18-36-22-33(29)37(32)27-10-6-9-25(20-27)23-7-5-8-24(19-23)26-15-16-35-31(21-26)30-12-2-4-14-34(30)38-35/h1-27H;1-23H;1-22H
InChIKeyAUJUXLMOIDBYGJ-UHFFFAOYSA-N
XLogP31.89
TPSA136.48 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001734.03
LogP ≤ 531.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
CID 157225149
CID 157225149
1-(4-acetylphenyl)ethanone;1-(1,1-difluoroethyl)-3-(trifluoromethyl)benzene-5-ide;3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;6,9-dimethyl-3H-carbazol-3-ide;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;5-methyl-8H-pyrido[4,3-b]indol-8-ide;tungsten
CID 158941711
CID 159961606
CID 159961606
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
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
1-(4-acetylphenyl)ethanone;1,3-bis(trifluoromethyl)benzene-5-ide;3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;6,9-dimethyl-3H-carbazol-3-ide;3,8-dimethyl-2,9-dihydro-1,10-phenanthroline-2,9-diide;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;methane;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;3-methyl-2H-1,10-phenanthrolin-2-ide;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-5-phenylpyridine;5-methyl-8H-pyrido[4,3-b]indol-8-ide;tungsten
CID 161578898
8-[3-[3-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-5-(3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544050
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
8-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544120
8-[3-(3-Dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544140
9-[3-(4-Dibenzofuran-2-ylphenyl)-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 57544143

Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157233701) is 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc(-c2cc(-n3c4cnccc4c4ccncc43)cc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-n4c5cnccc5c5ccncc54)c3)cc12.
What is the InChIKey of 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is AUJUXLMOIDBYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O.C40H23N3OS.C35H22N2O/c1-3-11-39-37(10-1)45-40(12-6-18-48-45)49(39)32-22-31(23-33(25-32)50-41-26-46-19-16-34(41)35-17-20-47-27-42(35)50)29-8-5-7-28(21-29)30-14-15-44-38(24-30)36-9-2-4-13-43(36)51-44;1-3-7-37-31(5-1)33-20-24(9-11-38(33)44-37)26-17-27(25-10-12-40-34(21-25)32-6-2-4-8-39(32)45-40)19-28(18-26)43-35-22-41-15-13-29(35)30-14-16-42-23-36(30)43;1-3-13-32-28(11-1)29-17-18-36-22-33(29)37(32)27-10-6-9-25(20-27)23-7-5-8-24(19-23)26-15-16-35-31(21-26)30-12-2-4-14-34(30)38-35/h1-27H;1-23H;1-22H.
What are the key properties of 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1734.03 g/mol, XLogP of 31.89, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[3-(3-dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157233701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).