2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole

C233H182N24O5 — CID 157293124

IUPAC2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole
SMILESCCn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7ccccc7n6CC)cc5)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7c8ccccc8ccc7n6C)nc5)ccc3O4)cn2)nc2c3ccccc3ccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7cc(-c8ccccc8)ccc7n6C)cc5)ccc3O4)cc2)nc2cc(-c3ccccc3)ccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7ccccc7n6C)nc5)ccc3O4)cn2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6nc7ccccc7n6C)c5)ccc3O4)cc2)nc2ccccc21
InChIInChI=1S/C55H42N4O.C49H36N6O.C45H38N4O.C43H34N4O.C41H32N6O/c1-55(2)45-31-41(37-15-19-39(20-16-37)53-56-47-33-43(23-27-49(47)58(53)3)35-11-7-5-8-12-35)25-29-51(45)60-52-30-26-42(32-46(52)55)38-17-21-40(22-18-38)54-57-48-34-44(24-28-50(48)59(54)4)36-13-9-6-10-14-36;1-49(2)37-25-31(33-13-19-39(50-27-33)47-52-45-35-11-7-5-9-29(35)15-21-41(45)54(47)3)17-23-43(37)56-44-24-18-32(26-38(44)49)34-14-20-40(51-28-34)48-53-46-36-12-8-6-10-30(36)16-22-42(46)55(48)4;1-5-48-39-13-9-7-11-37(39)46-43(48)31-19-15-29(16-20-31)33-23-25-41-35(27-33)45(3,4)36-28-34(24-26-42(36)50-41)30-17-21-32(22-18-30)44-47-38-12-8-10-14-40(38)49(44)6-2;1-43(2)33-25-30(27-16-18-28(19-17-27)41-44-35-12-5-7-14-37(35)46(41)3)20-22-39(33)48-40-23-21-31(26-34(40)43)29-10-9-11-32(24-29)42-45-36-13-6-8-15-38(36)47(42)4;1-41(2)29-21-25(27-13-17-33(42-23-27)39-44-31-9-5-7-11-35(31)46(39)3)15-19-37(29)48-38-20-16-26(22-30(38)41)28-14-18-34(43-24-28)40-45-32-10-6-8-12-36(32)47(40)4/h5-34H,1-4H3;5-28H,1-4H3;7-28H,5-6H2,1-4H3;5-26H,1-4H3;5-24H,1-4H3
InChIKeyBBANPOSBXDAGEQ-UHFFFAOYSA-N
MW3398.18 g/mol
LogP56.98
Rot. Bonds24

About 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole

2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole (PubChem CID 157293124) has the molecular formula C233H182N24O5 and a molecular weight of 3398.18 g/mol. Its IUPAC name is 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole
PubChem CID157293124
Molecular FormulaC233H182N24O5
Molecular Weight3398.18 g/mol
Exact Mass3395.47
IUPAC Name2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole
SMILESCCn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7ccccc7n6CC)cc5)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7c8ccccc8ccc7n6C)nc5)ccc3O4)cn2)nc2c3ccccc3ccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7cc(-c8ccccc8)ccc7n6C)cc5)ccc3O4)cc2)nc2cc(-c3ccccc3)ccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7ccccc7n6C)nc5)ccc3O4)cn2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6nc7ccccc7n6C)c5)ccc3O4)cc2)nc2ccccc21
InChIInChI=1S/C55H42N4O.C49H36N6O.C45H38N4O.C43H34N4O.C41H32N6O/c1-55(2)45-31-41(37-15-19-39(20-16-37)53-56-47-33-43(23-27-49(47)58(53)3)35-11-7-5-8-12-35)25-29-51(45)60-52-30-26-42(32-46(52)55)38-17-21-40(22-18-38)54-57-48-34-44(24-28-50(48)59(54)4)36-13-9-6-10-14-36;1-49(2)37-25-31(33-13-19-39(50-27-33)47-52-45-35-11-7-5-9-29(35)15-21-41(45)54(47)3)17-23-43(37)56-44-24-18-32(26-38(44)49)34-14-20-40(51-28-34)48-53-46-36-12-8-6-10-30(36)16-22-42(46)55(48)4;1-5-48-39-13-9-7-11-37(39)46-43(48)31-19-15-29(16-20-31)33-23-25-41-35(27-33)45(3,4)36-28-34(24-26-42(36)50-41)30-17-21-32(22-18-30)44-47-38-12-8-10-14-40(38)49(44)6-2;1-43(2)33-25-30(27-16-18-28(19-17-27)41-44-35-12-5-7-14-37(35)46(41)3)20-22-39(33)48-40-23-21-31(26-34(40)43)29-10-9-11-32(24-29)42-45-36-13-6-8-15-38(36)47(42)4;1-41(2)29-21-25(27-13-17-33(42-23-27)39-44-31-9-5-7-11-35(31)46(39)3)15-19-37(29)48-38-20-16-26(22-30(38)41)28-14-18-34(43-24-28)40-45-32-10-6-8-12-36(32)47(40)4/h5-34H,1-4H3;5-28H,1-4H3;7-28H,5-6H2,1-4H3;5-26H,1-4H3;5-24H,1-4H3
InChIKeyBBANPOSBXDAGEQ-UHFFFAOYSA-N
XLogP56.98
TPSA275.91 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003398.18
LogP ≤ 556.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole with MolForge

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Related Compounds

iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657576
3-tert-butyl-N-[2-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-[10-(trifluoromethyl)benzo[g]quinazolin-4-yl]pyridin-2-amine;9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-2-amine;2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[4-tert-butyl-6-[(4-phenyl-2-pyridinyl)amino]-2-pyridinyl]benzimidazol-2-yl]phenol;platinum;platinum(2+)
CID 157080983
7-(4-Tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline;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 157082291
2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;9-isoquinolin-1-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;6-methyl-9-(4-methyl-2-pyridinyl)-2-[3-[(5-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-quinolin-2-yl-1H-carbazol-1-ide
CID 157200701
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
2-[3,5-Bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(6-tert-butylnaphthalen-2-yl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2-fluorophenyl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-[4-[4-(trifluoromethyl)phenyl]phenyl]benzo[h]quinazoline
CID 157492933
CID 157757722
CID 157757722
2-[4-(3,4-dihydro-2H-chromen-6-yl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-fluoro-3-methoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-methylbenzimidazol-5-yl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[2-phenyl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 158031608
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
2-(2-Methoxyphenyl)-5-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]benzo[e]benzimidazole;2-(4-phenoxyphenyl)-5-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]benzo[e]benzimidazole;2-phenyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[e]benzimidazole;5-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-(trifluoromethyl)benzo[e]benzimidazole
CID 158295250
2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;9-isoquinolin-1-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;6-methyl-9-(4-methyl-2-pyridinyl)-2-[3-[(5-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;pentakis(platinum(2+))
CID 158435473
9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide
CID 158516879

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole?
The IUPAC name of 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole (CID 157293124) is 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole?
The canonical SMILES for 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole is CCn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7ccccc7n6CC)cc5)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7c8ccccc8ccc7n6C)nc5)ccc3O4)cn2)nc2c3ccccc3ccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7cc(-c8ccccc8)ccc7n6C)cc5)ccc3O4)cc2)nc2cc(-c3ccccc3)ccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7ccccc7n6C)nc5)ccc3O4)cn2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6nc7ccccc7n6C)c5)ccc3O4)cc2)nc2ccccc21.
What is the InChIKey of 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole?
The InChIKey is BBANPOSBXDAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N4O.C49H36N6O.C45H38N4O.C43H34N4O.C41H32N6O/c1-55(2)45-31-41(37-15-19-39(20-16-37)53-56-47-33-43(23-27-49(47)58(53)3)35-11-7-5-8-12-35)25-29-51(45)60-52-30-26-42(32-46(52)55)38-17-21-40(22-18-38)54-57-48-34-44(24-28-50(48)59(54)4)36-13-9-6-10-14-36;1-49(2)37-25-31(33-13-19-39(50-27-33)47-52-45-35-11-7-5-9-29(35)15-21-41(45)54(47)3)17-23-43(37)56-44-24-18-32(26-38(44)49)34-14-20-40(51-28-34)48-53-46-36-12-8-6-10-30(36)16-22-42(46)55(48)4;1-5-48-39-13-9-7-11-37(39)46-43(48)31-19-15-29(16-20-31)33-23-25-41-35(27-33)45(3,4)36-28-34(24-26-42(36)50-41)30-17-21-32(22-18-30)44-47-38-12-8-10-14-40(38)49(44)6-2;1-43(2)33-25-30(27-16-18-28(19-17-27)41-44-35-12-5-7-14-37(35)46(41)3)20-22-39(33)48-40-23-21-31(26-34(40)43)29-10-9-11-32(24-29)42-45-36-13-6-8-15-38(36)47(42)4;1-41(2)29-21-25(27-13-17-33(42-23-27)39-44-31-9-5-7-11-35(31)46(39)3)15-19-37(29)48-38-20-16-26(22-30(38)41)28-14-18-34(43-24-28)40-45-32-10-6-8-12-36(32)47(40)4/h5-34H,1-4H3;5-28H,1-4H3;7-28H,5-6H2,1-4H3;5-26H,1-4H3;5-24H,1-4H3.
What are the key properties of 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole?
2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole has a molecular weight of 3398.18 g/mol, XLogP of 56.98, 24 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methyl-5-phenylbenzimidazole;1-ethyl-2-[4-[7-[4-(1-ethylbenzimidazol-2-yl)phenyl]-9,9-dimethylxanthen-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 157293124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).