3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C274H191N25O2S2 — CID 157180147

IUPAC3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESC.C.C.C.C.C.C.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6sc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1
InChIInChI=1S/C44H28N4.C42H26N4.C39H25N5.C36H21N3O.C36H21N3S.C35H21N3O.C35H21N3S.7CH4/c1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;1-3-15-27(16-4-1)39-31-21-9-12-24-34(31)43-42(44-39)46-36-26-14-11-23-33(36)38-37-32-22-10-13-25-35(32)45(28-17-5-2-6-18-28)40(37)29-19-7-8-20-30(29)41(38)46;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;2*1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-32-27-18-8-11-21-30(27)40-35(32)24-15-5-4-14-23(24)34(31)39;1-5-13-30-24(9-1)25-10-2-6-14-31(25)37(30)22-17-18-34-28(19-22)29-20-23(21-36-35(29)39-34)38-32-15-7-3-11-26(32)27-12-4-8-16-33(27)38;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38;;;;;;;/h1-28H;1-26H;1-25H;2*1-21H;2*1-21H;7*1H4
InChIKeyAOMASKWWGBIDEJ-UHFFFAOYSA-N
MW3929.85 g/mol
LogP73.84
Rot. Bonds19

About 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 157180147) has the molecular formula C274H191N25O2S2 and a molecular weight of 3929.85 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
PubChem CID157180147
Molecular FormulaC274H191N25O2S2
Molecular Weight3929.85 g/mol
Exact Mass3926.51
IUPAC Name3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESC.C.C.C.C.C.C.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6sc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1
InChIInChI=1S/C44H28N4.C42H26N4.C39H25N5.C36H21N3O.C36H21N3S.C35H21N3O.C35H21N3S.7CH4/c1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;1-3-15-27(16-4-1)39-31-21-9-12-24-34(31)43-42(44-39)46-36-26-14-11-23-33(36)38-37-32-22-10-13-25-35(32)45(28-17-5-2-6-18-28)40(37)29-19-7-8-20-30(29)41(38)46;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;2*1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-32-27-18-8-11-21-30(27)40-35(32)24-15-5-4-14-23(24)34(31)39;1-5-13-30-24(9-1)25-10-2-6-14-31(25)37(30)22-17-18-34-28(19-22)29-20-23(21-36-35(29)39-34)38-32-15-7-3-11-26(32)27-12-4-8-16-33(27)38;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38;;;;;;;/h1-28H;1-26H;1-25H;2*1-21H;2*1-21H;7*1H4
InChIKeyAOMASKWWGBIDEJ-UHFFFAOYSA-N
XLogP73.84
TPSA253.01 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003929.85
LogP ≤ 573.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

CID 157743742
CID 157743742
3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole
CID 159290113
9-[1-Carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
CID 159483782
CID 159485479
CID 159485479
CID 159617407
CID 159617407
9-Dibenzofuran-2-yl-3-isocyano-6-(10-pyridin-2-ylanthracen-9-yl)carbazole;9-dibenzofuran-2-yl-3-isocyano-6-(10-pyridin-3-ylanthracen-9-yl)carbazole;9-dibenzofuran-2-yl-3-isocyano-6-(10-pyridin-4-ylanthracen-9-yl)carbazole;9-dibenzothiophen-2-yl-3-isocyano-6-(10-pyridin-4-ylanthracen-9-yl)carbazole;9-(4-fluorophenyl)-3-isocyano-6-(10-quinolin-2-ylanthracen-9-yl)carbazole;3-isocyano-9-(4-nitrophenyl)-6-(10-quinolin-8-ylanthracen-9-yl)carbazole;3-isocyano-6-(10-quinolin-2-ylanthracen-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole;3-isocyano-6-(10-quinolin-8-ylanthracen-9-yl)-9-[5-(trifluoromethyl)-2-pyridinyl]carbazole
CID 160380488
CID 161163738
CID 161163738
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-(4-Cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile
CID 164964375
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
9-[8-[4,6-Di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 118055425

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The IUPAC name of 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 157180147) is 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The canonical SMILES for 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is C.C.C.C.C.C.C.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6sc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The InChIKey is AOMASKWWGBIDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4.C42H26N4.C39H25N5.C36H21N3O.C36H21N3S.C35H21N3O.C35H21N3S.7CH4/c1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;1-3-15-27(16-4-1)39-31-21-9-12-24-34(31)43-42(44-39)46-36-26-14-11-23-33(36)38-37-32-22-10-13-25-35(32)45(28-17-5-2-6-18-28)40(37)29-19-7-8-20-30(29)41(38)46;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;2*1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-32-27-18-8-11-21-30(27)40-35(32)24-15-5-4-14-23(24)34(31)39;1-5-13-30-24(9-1)25-10-2-6-14-31(25)37(30)22-17-18-34-28(19-22)29-20-23(21-36-35(29)39-34)38-32-15-7-3-11-26(32)27-12-4-8-16-33(27)38;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38;;;;;;;/h1-28H;1-26H;1-25H;2*1-21H;2*1-21H;7*1H4.
What are the key properties of 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 3929.85 g/mol, XLogP of 73.84, 19 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 157180147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).