bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium

C157H153I2O17S6+5 — CID 167662020

IUPACbis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium
SMILESCC(C)(C)OC(=O)Oc1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.CC(C)(C)Oc1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.CC1(OC(=O)COc2ccc(COc3ccc([S+](c4ccc(I)cc4)c4ccc(I)cc4)cc3)cc2)C2CC3CC(C2)CC1C3.CCC(C)(C)OC(=O)Oc1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(OCc3ccc(OC4CSCCO4)cc3)cc2)cc1
InChIInChI=1S/C38H37I2O4S.C31H31O4S.C30H29O4S.C29H27O3S2.C29H29O2S/c1-38(28-19-26-18-27(21-28)22-29(38)20-26)44-37(41)24-43-32-8-2-25(3-9-32)23-42-33-10-16-36(17-11-33)45(34-12-4-30(39)5-13-34)35-14-6-31(40)7-15-35;1-4-31(2,3)35-30(32)34-26-17-15-24(16-18-26)23-33-25-19-21-29(22-20-25)36(27-11-7-5-8-12-27)28-13-9-6-10-14-28;1-30(2,3)34-29(31)33-25-16-14-23(15-17-25)22-32-24-18-20-28(21-19-24)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27;1-3-7-26(8-4-1)34(27-9-5-2-6-10-27)28-17-15-24(16-18-28)31-21-23-11-13-25(14-12-23)32-29-22-33-20-19-30-29;1-29(2,3)31-25-16-14-23(15-17-25)22-30-24-18-20-28(21-19-24)32(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h2-17,26-29H,18-24H2,1H3;5-22H,4,23H2,1-3H3;4-21H,22H2,1-3H3;1-18,29H,19-22H2;4-21H,22H2,1-3H3/q5*+1
InChIKeySBWQHXFHTGVXRN-UHFFFAOYSA-N
MW2758.14 g/mol
LogP39.81
Rot. Bonds41

About bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium

bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium (PubChem CID 167662020) has the molecular formula C157H153I2O17S6+5 and a molecular weight of 2758.14 g/mol. Its IUPAC name is bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Namebis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium
PubChem CID167662020
Molecular FormulaC157H153I2O17S6+5
Molecular Weight2758.14 g/mol
Exact Mass2755.75
IUPAC Namebis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium
SMILESCC(C)(C)OC(=O)Oc1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.CC(C)(C)Oc1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.CC1(OC(=O)COc2ccc(COc3ccc([S+](c4ccc(I)cc4)c4ccc(I)cc4)cc3)cc2)C2CC3CC(C2)CC1C3.CCC(C)(C)OC(=O)Oc1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(OCc3ccc(OC4CSCCO4)cc3)cc2)cc1
InChIInChI=1S/C38H37I2O4S.C31H31O4S.C30H29O4S.C29H27O3S2.C29H29O2S/c1-38(28-19-26-18-27(21-28)22-29(38)20-26)44-37(41)24-43-32-8-2-25(3-9-32)23-42-33-10-16-36(17-11-33)45(34-12-4-30(39)5-13-34)35-14-6-31(40)7-15-35;1-4-31(2,3)35-30(32)34-26-17-15-24(16-18-26)23-33-25-19-21-29(22-20-25)36(27-11-7-5-8-12-27)28-13-9-6-10-14-28;1-30(2,3)34-29(31)33-25-16-14-23(15-17-25)22-32-24-18-20-28(21-19-24)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27;1-3-7-26(8-4-1)34(27-9-5-2-6-10-27)28-17-15-24(16-18-28)31-21-23-11-13-25(14-12-23)32-29-22-33-20-19-30-29;1-29(2,3)31-25-16-14-23(15-17-25)22-30-24-18-20-28(21-19-24)32(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h2-17,26-29H,18-24H2,1H3;5-22H,4,23H2,1-3H3;4-21H,22H2,1-3H3;1-18,29H,19-22H2;4-21H,22H2,1-3H3/q5*+1
InChIKeySBWQHXFHTGVXRN-UHFFFAOYSA-N
XLogP39.81
TPSA180.43 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002758.14
LogP ≤ 539.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium with MolForge

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Related Compounds

[4-[(4-hydroxyphenyl)methoxy]phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-chloroacetate;[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]-diphenylsulfanium;dichloride
CID 167625469
[4-[[3-iodo-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]-diphenylsulfanium
CID 166021497
[4-methoxy-3-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]-diphenylsulfanium
CID 166021523
bis([4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]-diphenylsulfanium);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl) 2,2-difluoropropanoate);triethylazanium;chloride
CID 167633432
tris[4-[[3,5-diiodo-2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium
CID 169076981
[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium
CID 160665868
bis[4-[(4-hydroxyphenyl)methoxy]phenyl]iodanium;bis[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]iodanium;(2-methyl-2-adamantyl) 2-chloroacetate;dichloride
CID 167688186
[4-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]phenyl]-diphenylsulfanium
CID 59602482
tert-butyl (4-ethenylphenyl) carbonate;tert-butyl (4-prop-1-en-2-ylphenyl) carbonate;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethoxy]adamantane;2-[(4-ethenylphenoxy)methoxy]adamantane;2-[(4-ethenylphenoxy)methoxymethyl]adamantane;2-(4-ethenylphenoxy)oxane;(4-ethenylphenyl) acetate;(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate;4-prop-1-en-2-ylphenol;(4-prop-1-en-2-ylphenyl) acetate
CID 159364951
[4-[2-(1-adamantyloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 140821766
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
bis[4-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]sulfanylphenyl]iodanium
CID 162490159

Frequently Asked Questions

What is the IUPAC name of bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium?
The IUPAC name of bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium (CID 167662020) is bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium is CC(C)(C)OC(=O)Oc1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.CC(C)(C)Oc1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.CC1(OC(=O)COc2ccc(COc3ccc([S+](c4ccc(I)cc4)c4ccc(I)cc4)cc3)cc2)C2CC3CC(C2)CC1C3.CCC(C)(C)OC(=O)Oc1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(OCc3ccc(OC4CSCCO4)cc3)cc2)cc1.
What is the InChIKey of bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium?
The InChIKey is SBWQHXFHTGVXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37I2O4S.C31H31O4S.C30H29O4S.C29H27O3S2.C29H29O2S/c1-38(28-19-26-18-27(21-28)22-29(38)20-26)44-37(41)24-43-32-8-2-25(3-9-32)23-42-33-10-16-36(17-11-33)45(34-12-4-30(39)5-13-34)35-14-6-31(40)7-15-35;1-4-31(2,3)35-30(32)34-26-17-15-24(16-18-26)23-33-25-19-21-29(22-20-25)36(27-11-7-5-8-12-27)28-13-9-6-10-14-28;1-30(2,3)34-29(31)33-25-16-14-23(15-17-25)22-32-24-18-20-28(21-19-24)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27;1-3-7-26(8-4-1)34(27-9-5-2-6-10-27)28-17-15-24(16-18-28)31-21-23-11-13-25(14-12-23)32-29-22-33-20-19-30-29;1-29(2,3)31-25-16-14-23(15-17-25)22-30-24-18-20-28(21-19-24)32(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h2-17,26-29H,18-24H2,1H3;5-22H,4,23H2,1-3H3;4-21H,22H2,1-3H3;1-18,29H,19-22H2;4-21H,22H2,1-3H3/q5*+1.
What are the key properties of bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium?
bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium has a molecular weight of 2758.14 g/mol, XLogP of 39.81, 41 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-iodophenyl)-[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]sulfanium;[4-[[4-(2-methylbutan-2-yloxycarbonyloxy)phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]phenyl]-diphenylsulfanium;[4-[[4-(1,4-oxathian-2-yloxy)phenyl]methoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 167662020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).