2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane

C224H178N22O5 — CID 157409694

IUPAC2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane
SMILESC.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7nc8ccccc8n7C)cc6)c6ccccc56)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7ccccc7n6C)cc5)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6nc7ccccc7n6C)c5)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3cccc4c3Oc3c(-c5ccc(-c6nc7ccccc7n6C)cc5)cccc3C4(C)C)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3cccc4c3Oc3c(-c5ccc(-c6nc7ccccc7n6C)nc5)cccc3C4(C)C)cn2)nc2ccccc21
InChIInChI=1S/C53H40N4O.3C43H34N4O.C41H32N6O.CH4/c1-53(2)43-31-37(33-17-21-35(22-18-33)51-54-45-13-7-9-15-47(45)56(51)3)25-29-49(43)58-50-30-26-38(32-44(50)53)40-28-27-39(41-11-5-6-12-42(40)41)34-19-23-36(24-20-34)52-55-46-14-8-10-16-48(46)57(52)4;1-43(2)33-13-9-11-31(27-19-23-29(24-20-27)41-44-35-15-5-7-17-37(35)46(41)3)39(33)48-40-32(12-10-14-34(40)43)28-21-25-30(26-22-28)42-45-36-16-6-8-18-38(36)47(42)4;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;1-43(2)33-25-31(27-13-17-29(18-14-27)41-44-35-9-5-7-11-37(35)46(41)3)21-23-39(33)48-40-24-22-32(26-34(40)43)28-15-19-30(20-16-28)42-45-36-10-6-8-12-38(36)47(42)4;1-41(2)29-13-9-11-27(25-19-21-33(42-23-25)39-44-31-15-5-7-17-35(31)46(39)3)37(29)48-38-28(12-10-14-30(38)41)26-20-22-34(43-24-26)40-45-32-16-6-8-18-36(32)47(40)4;/h5-32H,1-4H3;3*5-26H,1-4H3;5-24H,1-4H3;1H4
InChIKeyBODARVNRFIURBO-UHFFFAOYSA-N
MW3258.04 g/mol
LogP55.04
Rot. Bonds21

About 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane

2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane (PubChem CID 157409694) has the molecular formula C224H178N22O5 and a molecular weight of 3258.04 g/mol. Its IUPAC name is 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane.

Molecular Properties

Compound Name2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane
PubChem CID157409694
Molecular FormulaC224H178N22O5
Molecular Weight3258.04 g/mol
Exact Mass3255.44
IUPAC Name2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane
SMILESC.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7nc8ccccc8n7C)cc6)c6ccccc56)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7ccccc7n6C)cc5)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6nc7ccccc7n6C)c5)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3cccc4c3Oc3c(-c5ccc(-c6nc7ccccc7n6C)cc5)cccc3C4(C)C)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3cccc4c3Oc3c(-c5ccc(-c6nc7ccccc7n6C)nc5)cccc3C4(C)C)cn2)nc2ccccc21
InChIInChI=1S/C53H40N4O.3C43H34N4O.C41H32N6O.CH4/c1-53(2)43-31-37(33-17-21-35(22-18-33)51-54-45-13-7-9-15-47(45)56(51)3)25-29-49(43)58-50-30-26-38(32-44(50)53)40-28-27-39(41-11-5-6-12-42(40)41)34-19-23-36(24-20-34)52-55-46-14-8-10-16-48(46)57(52)4;1-43(2)33-13-9-11-31(27-19-23-29(24-20-27)41-44-35-15-5-7-17-37(35)46(41)3)39(33)48-40-32(12-10-14-34(40)43)28-21-25-30(26-22-28)42-45-36-16-6-8-18-38(36)47(42)4;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;1-43(2)33-25-31(27-13-17-29(18-14-27)41-44-35-9-5-7-11-37(35)46(41)3)21-23-39(33)48-40-24-22-32(26-34(40)43)28-15-19-30(20-16-28)42-45-36-10-6-8-12-38(36)47(42)4;1-41(2)29-13-9-11-27(25-19-21-33(42-23-25)39-44-31-15-5-7-17-35(31)46(39)3)37(29)48-38-28(12-10-14-30(38)41)26-20-22-34(43-24-26)40-45-32-16-6-8-18-36(32)47(40)4;/h5-32H,1-4H3;3*5-26H,1-4H3;5-24H,1-4H3;1H4
InChIKeyBODARVNRFIURBO-UHFFFAOYSA-N
XLogP55.04
TPSA250.13 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003258.04
LogP ≤ 555.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane 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
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
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157566454
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
2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-fluoranthen-8-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;5-phenyl-2-spiro[fluorene-9,9'-xanthene]-2'-ylquinoxaline;9-[4-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-spiro[fluorene-9,9'-xanthene]-2'-ylquinoxaline
CID 159450050
6-(3-Chlorophenyl)-3-methylindolizine;6-(4-chlorophenyl)-3-methylindolizine;6-(3,5-difluorophenyl)-3-methylindolizine;6-(2,3-dimethylphenyl)-3-methylindolizine;6-(3-fluorophenyl)-3-methylindolizine;3-methyl-6-(2-methylphenyl)indolizine;3-methyl-6-(3-methylphenyl)indolizine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 159489159
6-[4-(1-Cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 159802627
3-(1,1-Difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;6-phenylimidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 161346907
N,N-dimethyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-id-9-yl]pyridin-2-amine;N,N-dimethyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-id-9-yl]pyridin-3-amine;9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;pentakis(platinum(2+))
CID 161793414
CID 162026202
CID 162026202
7,8-difluoro-2-(6-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole;5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1',2'-dimethylspiro[3H-1-benzofuran-2,4'-piperidine];11-(5,6-dimethyl-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;bis(7-(3-fluoro-4,5-dimethylphenyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole);7-(5-fluoro-6-methyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-methylpyrido[4,3-b]indole;2-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile;2-(6-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole
CID 167588721
1-[4-(6-Fluoronaphthalen-2-yl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]benzimidazole
CID 168802708

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane?
The IUPAC name of 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane (CID 157409694) is 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane.
What is the SMILES notation for 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane?
The canonical SMILES for 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane is C.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7nc8ccccc8n7C)cc6)c6ccccc56)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6nc7ccccc7n6C)cc5)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6nc7ccccc7n6C)c5)ccc3O4)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3cccc4c3Oc3c(-c5ccc(-c6nc7ccccc7n6C)cc5)cccc3C4(C)C)cc2)nc2ccccc21.Cn1c(-c2ccc(-c3cccc4c3Oc3c(-c5ccc(-c6nc7ccccc7n6C)nc5)cccc3C4(C)C)cn2)nc2ccccc21.
What is the InChIKey of 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane?
The InChIKey is BODARVNRFIURBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N4O.3C43H34N4O.C41H32N6O.CH4/c1-53(2)43-31-37(33-17-21-35(22-18-33)51-54-45-13-7-9-15-47(45)56(51)3)25-29-49(43)58-50-30-26-38(32-44(50)53)40-28-27-39(41-11-5-6-12-42(40)41)34-19-23-36(24-20-34)52-55-46-14-8-10-16-48(46)57(52)4;1-43(2)33-13-9-11-31(27-19-23-29(24-20-27)41-44-35-15-5-7-17-37(35)46(41)3)39(33)48-40-32(12-10-14-34(40)43)28-21-25-30(26-22-28)42-45-36-16-6-8-18-38(36)47(42)4;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;1-43(2)33-25-31(27-13-17-29(18-14-27)41-44-35-9-5-7-11-37(35)46(41)3)21-23-39(33)48-40-24-22-32(26-34(40)43)28-15-19-30(20-16-28)42-45-36-10-6-8-12-38(36)47(42)4;1-41(2)29-13-9-11-27(25-19-21-33(42-23-25)39-44-31-15-5-7-17-35(31)46(39)3)37(29)48-38-28(12-10-14-30(38)41)26-20-22-34(43-24-26)40-45-32-16-6-8-18-36(32)47(40)4;/h5-32H,1-4H3;3*5-26H,1-4H3;5-24H,1-4H3;1H4.
What are the key properties of 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane?
2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane has a molecular weight of 3258.04 g/mol, XLogP of 55.04, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9,9-dimethyl-7-[4-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[3-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-5-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-4-yl]phenyl]-1-methylbenzimidazole;2-[4-[9,9-dimethyl-7-[4-(1-methylbenzimidazol-2-yl)phenyl]xanthen-2-yl]phenyl]-1-methylbenzimidazole;2-[5-[9,9-dimethyl-5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-4-yl]-2-pyridinyl]-1-methylbenzimidazole;methane is sourced from PubChem (CID 157409694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).