formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate

C87H84N8O9SY2-4 — CID 158547048

IUPACformaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate
SMILESC.C.C.C=O.C=O.COc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(Oc7cc[c-]cc7)cc6)[nH]c5c4)cc3[nH]2)cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.O.O=S=O.Oc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)cc3[nH]2)cc1.[Y].[Y]
InChIInChI=1S/C34H25N4O2.C27H20N4O2.3C7H7.2CH2O.3CH4.O2S.H2O.2Y/c1-39-26-13-9-24(10-14-26)33-35-29-17-7-22(20-31(29)37-33)19-23-8-18-30-32(21-23)38-34(36-30)25-11-15-28(16-12-25)40-27-5-3-2-4-6-27;32-20-7-3-18(4-8-20)26-28-22-11-1-16(14-24(22)30-26)13-17-2-12-23-25(15-17)31-27(29-23)19-5-9-21(33)10-6-19;3*1-7-5-3-2-4-6-7;2*1-2;;;;1-3-2;;;/h3-18,20-21H,19H2,1H3,(H,35,37)(H,36,38);1-12,14-15,32-33H,13H2,(H,28,30)(H,29,31);3*3-6H,1H3;2*1H2;3*1H4;;1H2;;/q-1;;3*-1;;;;;;;;;
InChIKeyXSIYUZWETIWVPP-UHFFFAOYSA-N
MW1595.55 g/mol
LogP19.16
Rot. Bonds11

About formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate

formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate (PubChem CID 158547048) has the molecular formula C87H84N8O9SY2-4 and a molecular weight of 1595.55 g/mol. Its IUPAC name is formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate.

Molecular Properties

Compound Nameformaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate
PubChem CID158547048
Molecular FormulaC87H84N8O9SY2-4
Molecular Weight1595.55 g/mol
Exact Mass1594.42
IUPAC Nameformaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate
SMILESC.C.C.C=O.C=O.COc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(Oc7cc[c-]cc7)cc6)[nH]c5c4)cc3[nH]2)cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.O.O=S=O.Oc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)cc3[nH]2)cc1.[Y].[Y]
InChIInChI=1S/C34H25N4O2.C27H20N4O2.3C7H7.2CH2O.3CH4.O2S.H2O.2Y/c1-39-26-13-9-24(10-14-26)33-35-29-17-7-22(20-31(29)37-33)19-23-8-18-30-32(21-23)38-34(36-30)25-11-15-28(16-12-25)40-27-5-3-2-4-6-27;32-20-7-3-18(4-8-20)26-28-22-11-1-16(14-24(22)30-26)13-17-2-12-23-25(15-17)31-27(29-23)19-5-9-21(33)10-6-19;3*1-7-5-3-2-4-6-7;2*1-2;;;;1-3-2;;;/h3-18,20-21H,19H2,1H3,(H,35,37)(H,36,38);1-12,14-15,32-33H,13H2,(H,28,30)(H,29,31);3*3-6H,1H3;2*1H2;3*1H4;;1H2;;/q-1;;3*-1;;;;;;;;;
InChIKeyXSIYUZWETIWVPP-UHFFFAOYSA-N
XLogP19.16
TPSA273.42 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001595.55
LogP ≤ 519.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate with MolForge

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Related Compounds

[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946
Phenol, 4,4'-[5,5'-bi-1H-benzimidazole]-2,2'-diylbis-
CID 449494
2-[4-[[6-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-3H-benzimidazole-5-carboximidamide
CID 122193001
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[4-[4-[4-(1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-1H-benzimidazole
CID 25255484
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[7-[4-(1H-benzimidazol-2-yl)phenoxy]heptoxy]phenyl]-1H-benzimidazole
CID 25255577
2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole
CID 17325420
6-methyl-2-[4-[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 44448931
2-[4-[9-[4-(1H-benzimidazol-2-yl)phenoxy]nonoxy]phenyl]-1H-benzimidazole
CID 56656112
2-[4-[[3-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1H-benzimidazole
CID 56656113
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183

Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate?
The IUPAC name of formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate (CID 158547048) is formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate.
What is the SMILES notation for formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate?
The canonical SMILES for formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate is C.C.C.C=O.C=O.COc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(Oc7cc[c-]cc7)cc6)[nH]c5c4)cc3[nH]2)cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.O.O=S=O.Oc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)cc3[nH]2)cc1.[Y].[Y].
What is the InChIKey of formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate?
The InChIKey is XSIYUZWETIWVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N4O2.C27H20N4O2.3C7H7.2CH2O.3CH4.O2S.H2O.2Y/c1-39-26-13-9-24(10-14-26)33-35-29-17-7-22(20-31(29)37-33)19-23-8-18-30-32(21-23)38-34(36-30)25-11-15-28(16-12-25)40-27-5-3-2-4-6-27;32-20-7-3-18(4-8-20)26-28-22-11-1-16(14-24(22)30-26)13-17-2-12-23-25(15-17)31-27(29-23)19-5-9-21(33)10-6-19;3*1-7-5-3-2-4-6-7;2*1-2;;;;1-3-2;;;/h3-18,20-21H,19H2,1H3,(H,35,37)(H,36,38);1-12,14-15,32-33H,13H2,(H,28,30)(H,29,31);3*3-6H,1H3;2*1H2;3*1H4;;1H2;;/q-1;;3*-1;;;;;;;;;.
What are the key properties of formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate?
formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate has a molecular weight of 1595.55 g/mol, XLogP of 19.16, 11 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenol;methane;2-(4-methoxyphenyl)-6-[[2-[4-(phenoxy)phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole;methylbenzene;sulfur dioxide;bis(yttrium);hydrate is sourced from PubChem (CID 158547048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).