dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate

C88H65Br2FK2N8O7 — CID 159566569

IUPACdipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate
SMILESCc1cccc(C)c1N1c2ccccc2NC1c1ccc(Oc2cccc(Oc3ccc4c(c3)c3ccccc3n4-c3ccccn3)c2Br)cc1.Cc1ccccc1-n1c(-c2ccc(O)cc2)nc2ccccc21.Fc1cccc(Oc2ccc3c(c2)c2ccccc2n3-c2ccccn2)c1Br.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C44H33BrN4O2.C23H14BrFN2O.C20H16N2O.CH2O3.2K.H/c1-28-11-9-12-29(2)43(28)49-38-16-6-4-14-35(38)47-44(49)30-20-22-31(23-21-30)50-39-17-10-18-40(42(39)45)51-32-24-25-37-34(27-32)33-13-3-5-15-36(33)48(37)41-19-7-8-26-46-41;24-23-18(25)7-5-9-21(23)28-15-11-12-20-17(14-15)16-6-1-2-8-19(16)27(20)22-10-3-4-13-26-22;1-14-6-2-4-8-18(14)22-19-9-5-3-7-17(19)21-20(22)15-10-12-16(23)13-11-15;2-1-4-3;;;/h3-27,44,47H,1-2H3;1-14H;2-13,23H,1H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyGFLFQYRZGBMHTA-UHFFFAOYSA-M
MW1603.54 g/mol
LogP16.54
Rot. Bonds13

About dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate

dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate (PubChem CID 159566569) has the molecular formula C88H65Br2FK2N8O7 and a molecular weight of 1603.54 g/mol. Its IUPAC name is dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate.

Molecular Properties

Compound Namedipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate
PubChem CID159566569
Molecular FormulaC88H65Br2FK2N8O7
Molecular Weight1603.54 g/mol
Exact Mass1600.26
IUPAC Namedipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate
SMILESCc1cccc(C)c1N1c2ccccc2NC1c1ccc(Oc2cccc(Oc3ccc4c(c3)c3ccccc3n4-c3ccccn3)c2Br)cc1.Cc1ccccc1-n1c(-c2ccc(O)cc2)nc2ccccc21.Fc1cccc(Oc2ccc3c(c2)c2ccccc2n3-c2ccccn2)c1Br.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C44H33BrN4O2.C23H14BrFN2O.C20H16N2O.CH2O3.2K.H/c1-28-11-9-12-29(2)43(28)49-38-16-6-4-14-35(38)47-44(49)30-20-22-31(23-21-30)50-39-17-10-18-40(42(39)45)51-32-24-25-37-34(27-32)33-13-3-5-15-36(33)48(37)41-19-7-8-26-46-41;24-23-18(25)7-5-9-21(23)28-15-11-12-20-17(14-15)16-6-1-2-8-19(16)27(20)22-10-3-4-13-26-22;1-14-6-2-4-8-18(14)22-19-9-5-3-7-17(19)21-20(22)15-10-12-16(23)13-11-15;2-1-4-3;;;/h3-27,44,47H,1-2H3;1-14H;2-13,23H,1H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyGFLFQYRZGBMHTA-UHFFFAOYSA-M
XLogP16.54
TPSA166.01 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.54
LogP ≤ 516.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate with MolForge

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Related Compounds

3-[2-bromo-3-[4-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;25-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5-pyridin-2-yl-15,21-dioxa-5-aza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
CID 157233736
3-[2-bromo-3-[4-(4-tert-butyl-2-pyridinyl)phenoxy]phenoxy]-9-pyridin-2-ylcarbazole
CID 156629916
11-(2,6-dimethylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154611418
1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole
CID 137448400
11-methyl-11-[11-methyl-8-(2-phenylbenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl]-8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-16-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 163630075
9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole
CID 144705601
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole
CID 70920417
2-phenyl-1-[8-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
CID 153271176
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611519
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate?
The IUPAC name of dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate (CID 159566569) is dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate.
What is the SMILES notation for dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate?
The canonical SMILES for dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate is Cc1cccc(C)c1N1c2ccccc2NC1c1ccc(Oc2cccc(Oc3ccc4c(c3)c3ccccc3n4-c3ccccn3)c2Br)cc1.Cc1ccccc1-n1c(-c2ccc(O)cc2)nc2ccccc21.Fc1cccc(Oc2ccc3c(c2)c2ccccc2n3-c2ccccn2)c1Br.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate?
The InChIKey is GFLFQYRZGBMHTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C44H33BrN4O2.C23H14BrFN2O.C20H16N2O.CH2O3.2K.H/c1-28-11-9-12-29(2)43(28)49-38-16-6-4-14-35(38)47-44(49)30-20-22-31(23-21-30)50-39-17-10-18-40(42(39)45)51-32-24-25-37-34(27-32)33-13-3-5-15-36(33)48(37)41-19-7-8-26-46-41;24-23-18(25)7-5-9-21(23)28-15-11-12-20-17(14-15)16-6-1-2-8-19(16)27(20)22-10-3-4-13-26-22;1-14-6-2-4-8-18(14)22-19-9-5-3-7-17(19)21-20(22)15-10-12-16(23)13-11-15;2-1-4-3;;;/h3-27,44,47H,1-2H3;1-14H;2-13,23H,1H3;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate?
dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate has a molecular weight of 1603.54 g/mol, XLogP of 16.54, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-[2-bromo-3-[4-[3-(2,6-dimethylphenyl)-1,2-dihydrobenzimidazol-2-yl]phenoxy]phenoxy]-9-pyridin-2-ylcarbazole;3-(2-bromo-3-fluorophenoxy)-9-pyridin-2-ylcarbazole;hydride;4-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;oxido formate is sourced from PubChem (CID 159566569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).