5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

C199H120N18O5 — CID 157439788

IUPAC5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESCCc1nc2ccccc2n1-c1ccc(-c2ccc3oc4c5ccccc5c5nc6ccccc6n5c4c3c2)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)ccc23)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)cc3)n2)nc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4oc5c6ccccc6c6nc7ccccc7n6c5c4c3)cc2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)cc3)nc12
InChIInChI=1S/C47H28N2O.C40H24N4O.C39H22N4O.C37H22N4O.C36H24N4O/c1-3-13-29(14-4-1)43-33-17-7-8-18-34(33)44(30-15-5-2-6-16-30)38-27-31(23-25-35(38)43)32-24-26-42-39(28-32)45-46(50-42)36-19-9-10-20-37(36)47-48-40-21-11-12-22-41(40)49(45)47;1-2-10-26(11-3-1)39-41-32-14-6-8-16-34(32)43(39)28-21-18-25(19-22-28)27-20-23-36-31(24-27)37-38(45-36)29-12-4-5-13-30(29)40-42-33-15-7-9-17-35(33)44(37)40;1-2-8-29-28(7-1)38-37(43-33-10-4-3-9-32(33)42-39(29)43)30-22-27(18-20-34(30)44-38)23-11-13-24(14-12-23)31-19-17-26-16-15-25-6-5-21-40-35(25)36(26)41-31;1-2-9-27-26(8-1)36-35(41-33-14-4-3-11-32(33)40-37(27)41)28-22-25(19-20-34(28)42-36)23-15-17-24(18-16-23)29-12-7-13-31(39-29)30-10-5-6-21-38-30;1-2-33-37-28-11-5-7-13-30(28)39(33)24-18-15-22(16-19-24)23-17-20-32-27(21-23)34-35(41-32)25-9-3-4-10-26(25)36-38-29-12-6-8-14-31(29)40(34)36/h1-28H;1-24H;1-22H;1-22H;3-21H,2H2,1H3
InChIKeyBRNKTLQAFAXWBK-UHFFFAOYSA-N
MW2843.27 g/mol
LogP51.47
Rot. Bonds14

About 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (PubChem CID 157439788) has the molecular formula C199H120N18O5 and a molecular weight of 2843.27 g/mol. Its IUPAC name is 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
PubChem CID157439788
Molecular FormulaC199H120N18O5
Molecular Weight2843.27 g/mol
Exact Mass2840.97
IUPAC Name5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESCCc1nc2ccccc2n1-c1ccc(-c2ccc3oc4c5ccccc5c5nc6ccccc6n5c4c3c2)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)ccc23)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)cc3)n2)nc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4oc5c6ccccc6c6nc7ccccc7n6c5c4c3)cc2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)cc3)nc12
InChIInChI=1S/C47H28N2O.C40H24N4O.C39H22N4O.C37H22N4O.C36H24N4O/c1-3-13-29(14-4-1)43-33-17-7-8-18-34(33)44(30-15-5-2-6-16-30)38-27-31(23-25-35(38)43)32-24-26-42-39(28-32)45-46(50-42)36-19-9-10-20-37(36)47-48-40-21-11-12-22-41(40)49(45)47;1-2-10-26(11-3-1)39-41-32-14-6-8-16-34(32)43(39)28-21-18-25(19-22-28)27-20-23-36-31(24-27)37-38(45-36)29-12-4-5-13-30(29)40-42-33-15-7-9-17-35(33)44(37)40;1-2-8-29-28(7-1)38-37(43-33-10-4-3-9-32(33)42-39(29)43)30-22-27(18-20-34(30)44-38)23-11-13-24(14-12-23)31-19-17-26-16-15-25-6-5-21-40-35(25)36(26)41-31;1-2-9-27-26(8-1)36-35(41-33-14-4-3-11-32(33)40-37(27)41)28-22-25(19-20-34(28)42-36)23-15-17-24(18-16-23)29-12-7-13-31(39-29)30-10-5-6-21-38-30;1-2-33-37-28-11-5-7-13-30(28)39(33)24-18-15-22(16-19-24)23-17-20-32-27(21-23)34-35(41-32)25-9-3-4-10-26(25)36-38-29-12-6-8-14-31(29)40(34)36/h1-28H;1-24H;1-22H;1-22H;3-21H,2H2,1H3
InChIKeyBRNKTLQAFAXWBK-UHFFFAOYSA-N
XLogP51.47
TPSA239.40 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002843.27
LogP ≤ 551.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene with MolForge

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Related Compounds

4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 157242209
1-(2,6-diphenylphenyl)-2-[5-(4-fluorophenyl)-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157463071
4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole
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CID 157919034
CID 157919034
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1-(4-tert-butylphenyl)-2-(8-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2,6-dimethyl-4-pyridinyl)-2-(7-fluoro-1-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;octakis(iridium);1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-naphthalen-2-yl-2-(1,6,8-trifluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;octakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 158079780
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;3-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 158351719

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (CID 157439788) is 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.
What is the SMILES notation for 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The canonical SMILES for 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is CCc1nc2ccccc2n1-c1ccc(-c2ccc3oc4c5ccccc5c5nc6ccccc6n5c4c3c2)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)ccc23)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)cc3)n2)nc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4oc5c6ccccc6c6nc7ccccc7n6c5c4c3)cc2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5c4)cc3)nc12.
What is the InChIKey of 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The InChIKey is BRNKTLQAFAXWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O.C40H24N4O.C39H22N4O.C37H22N4O.C36H24N4O/c1-3-13-29(14-4-1)43-33-17-7-8-18-34(33)44(30-15-5-2-6-16-30)38-27-31(23-25-35(38)43)32-24-26-42-39(28-32)45-46(50-42)36-19-9-10-20-37(36)47-48-40-21-11-12-22-41(40)49(45)47;1-2-10-26(11-3-1)39-41-32-14-6-8-16-34(32)43(39)28-21-18-25(19-22-28)27-20-23-36-31(24-27)37-38(45-36)29-12-4-5-13-30(29)40-42-33-15-7-9-17-35(33)44(37)40;1-2-8-29-28(7-1)38-37(43-33-10-4-3-9-32(33)42-39(29)43)30-22-27(18-20-34(30)44-38)23-11-13-24(14-12-23)31-19-17-26-16-15-25-6-5-21-40-35(25)36(26)41-31;1-2-9-27-26(8-1)36-35(41-33-14-4-3-11-32(33)40-37(27)41)28-22-25(19-20-34(28)42-36)23-15-17-24(18-16-23)29-12-7-13-31(39-29)30-10-5-6-21-38-30;1-2-33-37-28-11-5-7-13-30(28)39(33)24-18-15-22(16-19-24)23-17-20-32-27(21-23)34-35(41-32)25-9-3-4-10-26(25)36-38-29-12-6-8-14-31(29)40(34)36/h1-28H;1-24H;1-22H;1-22H;3-21H,2H2,1H3.
What are the key properties of 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene has a molecular weight of 2843.27 g/mol, XLogP of 51.47, 14 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 157439788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).