acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium

C111H140BBrN8O8Os2Pd — CID 162267802

IUPACacetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium
SMILESBrC1CCCC1.C.C1CCCC1.C1CCCC1.CC(=O)O.CC(=O)O.CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)C)c1-n1ccnc1-c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.CC(C)c1cc(C2CCCC2)cc(C(C)C)c1-n1ccnc1-c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Os+2].[Os+2].[Pd]
InChIInChI=1S/C44H45BN4O3.C43H42N4O.C5H9Br.2C5H10.2C2H4O2.CH4.4CH3.2Os.Pd/c1-28(2)36-25-31(45-51-43(5,6)44(7,8)52-45)26-37(29(3)4)41(36)48-23-22-47-42(48)30-14-13-15-32(24-30)50-33-19-20-35-34-16-9-10-17-38(34)49(39(35)27-33)40-18-11-12-21-46-40;1-28(2)37-25-32(30-12-5-6-13-30)26-38(29(3)4)42(37)46-23-22-45-43(46)31-14-11-15-33(24-31)48-34-19-20-36-35-16-7-8-17-39(35)47(40(36)27-34)41-18-9-10-21-44-41;6-5-3-1-2-4-5;2*1-2-4-5-3-1;2*1-2(3)4;;;;;;;;/h9-29H,1-8H3;7-11,14-30H,5-6,12-13H2,1-4H3;5H,1-4H2;2*1-5H2;2*1H3,(H,3,4);1H4;4*1H3;;;/q;;;;;;;;4*-1;2*+2;
InChIKeyVCWIDRKLISNRDF-UHFFFAOYSA-N
MW2291.98 g/mol
LogP30.93
Rot. Bonds16

About acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium

acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium (PubChem CID 162267802) has the molecular formula C111H140BBrN8O8Os2Pd and a molecular weight of 2291.98 g/mol. Its IUPAC name is acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium.

Molecular Properties

Compound Nameacetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium
PubChem CID162267802
Molecular FormulaC111H140BBrN8O8Os2Pd
Molecular Weight2291.98 g/mol
Exact Mass2292.83
IUPAC Nameacetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium
SMILESBrC1CCCC1.C.C1CCCC1.C1CCCC1.CC(=O)O.CC(=O)O.CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)C)c1-n1ccnc1-c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.CC(C)c1cc(C2CCCC2)cc(C(C)C)c1-n1ccnc1-c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Os+2].[Os+2].[Pd]
InChIInChI=1S/C44H45BN4O3.C43H42N4O.C5H9Br.2C5H10.2C2H4O2.CH4.4CH3.2Os.Pd/c1-28(2)36-25-31(45-51-43(5,6)44(7,8)52-45)26-37(29(3)4)41(36)48-23-22-47-42(48)30-14-13-15-32(24-30)50-33-19-20-35-34-16-9-10-17-38(34)49(39(35)27-33)40-18-11-12-21-46-40;1-28(2)37-25-32(30-12-5-6-13-30)26-38(29(3)4)42(37)46-23-22-45-43(46)31-14-11-15-33(24-31)48-34-19-20-36-35-16-7-8-17-39(35)47(40(36)27-34)41-18-9-10-21-44-41;6-5-3-1-2-4-5;2*1-2-4-5-3-1;2*1-2(3)4;;;;;;;;/h9-29H,1-8H3;7-11,14-30H,5-6,12-13H2,1-4H3;5H,1-4H2;2*1-5H2;2*1H3,(H,3,4);1H4;4*1H3;;;/q;;;;;;;;4*-1;2*+2;
InChIKeyVCWIDRKLISNRDF-UHFFFAOYSA-N
XLogP30.93
TPSA182.80 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002291.98
LogP ≤ 530.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium with MolForge

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Related Compounds

2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155635930
9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole
CID 167387926
2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592465
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine
CID 140803188
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
CID 154592375
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]benzimidazole
CID 140593656
1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole
CID 140723590
3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-5-pyridin-2-yl-10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinine
CID 140630589
3-[4-cyclopentyl-2,6-bis(2-methylpropyl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 140723612
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117

Frequently Asked Questions

What is the IUPAC name of acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium?
The IUPAC name of acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium (CID 162267802) is acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium.
What is the SMILES notation for acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium?
The canonical SMILES for acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium is BrC1CCCC1.C.C1CCCC1.C1CCCC1.CC(=O)O.CC(=O)O.CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)C)c1-n1ccnc1-c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.CC(C)c1cc(C2CCCC2)cc(C(C)C)c1-n1ccnc1-c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Os+2].[Os+2].[Pd].
What is the InChIKey of acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium?
The InChIKey is VCWIDRKLISNRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45BN4O3.C43H42N4O.C5H9Br.2C5H10.2C2H4O2.CH4.4CH3.2Os.Pd/c1-28(2)36-25-31(45-51-43(5,6)44(7,8)52-45)26-37(29(3)4)41(36)48-23-22-47-42(48)30-14-13-15-32(24-30)50-33-19-20-35-34-16-9-10-17-38(34)49(39(35)27-33)40-18-11-12-21-46-40;1-28(2)37-25-32(30-12-5-6-13-30)26-38(29(3)4)42(37)46-23-22-45-43(46)31-14-11-15-33(24-31)48-34-19-20-36-35-16-7-8-17-39(35)47(40(36)27-34)41-18-9-10-21-44-41;6-5-3-1-2-4-5;2*1-2-4-5-3-1;2*1-2(3)4;;;;;;;;/h9-29H,1-8H3;7-11,14-30H,5-6,12-13H2,1-4H3;5H,1-4H2;2*1-5H2;2*1H3,(H,3,4);1H4;4*1H3;;;/q;;;;;;;;4*-1;2*+2;.
What are the key properties of acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium?
acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium has a molecular weight of 2291.98 g/mol, XLogP of 30.93, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bromocyclopentane;carbanide;bis(cyclopentane);2-[3-[1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;2-[3-[1-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole;methane;bis(osmium(2+));palladium is sourced from PubChem (CID 162267802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).