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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole

C138H83N11O3S — CID 157440975

IUPAC8-[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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
SMILESc1cc(-c2cc(-n3c4cnccc4c4ccncc43)cc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1ccc2c(c1)oc1ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccncc65)cc(-n5c6ccccc6c6ccncc65)c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc12
InChIInChI=1S/C58H34N4O2.C45H27N5O.C35H22N2S/c1-5-13-51-43(9-1)45-21-23-59-33-53(45)61(51)41-28-40(29-42(32-41)62-52-14-6-2-10-44(52)46-22-24-60-34-54(46)62)39-26-37(35-17-19-57-49(30-35)47-11-3-7-15-55(47)63-57)25-38(27-39)36-18-20-58-50(31-36)48-12-4-8-16-56(48)64-58;1-3-11-39-37(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;1-3-15-32-28(12-1)30-14-7-19-36-35(30)37(32)27-11-6-10-25(21-27)23-8-5-9-24(20-23)26-17-18-34-31(22-26)29-13-2-4-16-33(29)38-34/h1-34H;1-27H;1-22H
InChIKeyBRQYKHPDXRBZKO-UHFFFAOYSA-N
MW1975.32 g/mol
LogP36.65
Rot. Bonds12

About 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole (PubChem CID 157440975) has the molecular formula C138H83N11O3S and a molecular weight of 1975.32 g/mol. Its IUPAC name is 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name8-[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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
PubChem CID157440975
Molecular FormulaC138H83N11O3S
Molecular Weight1975.32 g/mol
Exact Mass1973.64
IUPAC Name8-[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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
SMILESc1cc(-c2cc(-n3c4cnccc4c4ccncc43)cc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1ccc2c(c1)oc1ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccncc65)cc(-n5c6ccccc6c6ccncc65)c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc12
InChIInChI=1S/C58H34N4O2.C45H27N5O.C35H22N2S/c1-5-13-51-43(9-1)45-21-23-59-33-53(45)61(51)41-28-40(29-42(32-41)62-52-14-6-2-10-44(52)46-22-24-60-34-54(46)62)39-26-37(35-17-19-57-49(30-35)47-11-3-7-15-55(47)63-57)25-38(27-39)36-18-20-58-50(31-36)48-12-4-8-16-56(48)64-58;1-3-11-39-37(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;1-3-15-32-28(12-1)30-14-7-19-36-35(30)37(32)27-11-6-10-25(21-27)23-8-5-9-24(20-23)26-17-18-34-31(22-26)29-13-2-4-16-33(29)38-34/h1-34H;1-27H;1-22H
InChIKeyBRQYKHPDXRBZKO-UHFFFAOYSA-N
XLogP36.65
TPSA141.41 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001975.32
LogP ≤ 536.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole 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
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
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
1-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(9-methyl-2-thiophen-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 161981800
2-(5-tert-butyl-2-methylbenzimidazol-1-yl)-N,N-dimethylethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzofuran-3-yl)ethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzothiophen-3-yl)ethanamine;N,N-dimethyl-1-(7-propan-2-yl-1,3-dihydro-2-benzothiophen-4-yl)piperidin-4-amine;N,N-dimethyl-1-(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)piperidin-4-amine;N,N-dimethyl-2-(5-propan-2-ylimidazo[4,5-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylindol-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylpyrrolo[3,2-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-[5-propan-2-yl-2-(trifluoromethyl)benzimidazol-1-yl]ethanamine
CID 167592122
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
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
8-[3-[8-[6-Dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058980

Frequently Asked Questions

What is the IUPAC name of 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
The IUPAC name of 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole (CID 157440975) is 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
The canonical SMILES for 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole is c1cc(-c2cc(-n3c4cnccc4c4ccncc43)cc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-c2ccc3sc4ccccc4c3c2)c1.c1ccc2c(c1)oc1ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccncc65)cc(-n5c6ccccc6c6ccncc65)c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc12.
What is the InChIKey of 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
The InChIKey is BRQYKHPDXRBZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O2.C45H27N5O.C35H22N2S/c1-5-13-51-43(9-1)45-21-23-59-33-53(45)61(51)41-28-40(29-42(32-41)62-52-14-6-2-10-44(52)46-22-24-60-34-54(46)62)39-26-37(35-17-19-57-49(30-35)47-11-3-7-15-55(47)63-57)25-38(27-39)36-18-20-58-50(31-36)48-12-4-8-16-56(48)64-58;1-3-11-39-37(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;1-3-15-32-28(12-1)30-14-7-19-36-35(30)37(32)27-11-6-10-25(21-27)23-8-5-9-24(20-23)26-17-18-34-31(22-26)29-13-2-4-16-33(29)38-34/h1-34H;1-27H;1-22H.
What are the key properties of 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole has a molecular weight of 1975.32 g/mol, XLogP of 36.65, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[3-[3,5-di(dibenzofuran-2-yl)phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 157440975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).