CID 85469741

C143H297Na16O32S32Si13 — CID 85469741

IUPAC—
SMILESC[Si](CCCSCCCS(=O)[O-])(CCCSCCCS(=O)[O-])CCC[Si](CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])(CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C143H313O32S32Si13.16Na/c1-209(107-28-72-176-56-12-88-192(144)145,108-29-73-177-57-13-89-193(146)147)123-44-104-208(105-45-124-210(2,109-30-74-178-58-14-90-194(148)149)110-31-75-179-59-15-91-195(150)151)106-46-140-220(141-53-137-217(9,131-47-125-211(3,111-32-76-180-60-16-92-196(152)153)112-33-77-181-61-17-93-197(154)155)132-48-126-212(4,113-34-78-182-62-18-94-198(156)157)114-35-79-183-63-19-95-199(158)159,142-54-138-218(10,133-49-127-213(5,115-36-80-184-64-20-96-200(160)161)116-37-81-185-65-21-97-201(162)163)134-50-128-214(6,117-38-82-186-66-22-98-202(164)165)118-39-83-187-67-23-99-203(166)167)143-55-139-219(11,135-51-129-215(7,119-40-84-188-68-24-100-204(168)169)120-41-85-189-69-25-101-205(170)171)136-52-130-216(8,121-42-86-190-70-26-102-206(172)173)122-43-87-191-71-27-103-207(174)175;;;;;;;;;;;;;;;;/h12-143H2,1-11H3,(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175);;;;;;;;;;;;;;;;/q;16*+1/p-16
InChIKeyQWFQTKRDJKYNCA-UHFFFAOYSA-A
MW4288.02 g/mol
LogP-9.18
Rot. Bonds176

About CID 85469741

CID 85469741 (PubChem CID 85469741) has the molecular formula C143H297Na16O32S32Si13 and a molecular weight of 4288.02 g/mol.

Molecular Properties

Compound NameCID 85469741
PubChem CID85469741
Molecular FormulaC143H297Na16O32S32Si13
Molecular Weight4288.02 g/mol
Exact Mass4281.80
IUPAC Name—
SMILESC[Si](CCCSCCCS(=O)[O-])(CCCSCCCS(=O)[O-])CCC[Si](CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])(CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C143H313O32S32Si13.16Na/c1-209(107-28-72-176-56-12-88-192(144)145,108-29-73-177-57-13-89-193(146)147)123-44-104-208(105-45-124-210(2,109-30-74-178-58-14-90-194(148)149)110-31-75-179-59-15-91-195(150)151)106-46-140-220(141-53-137-217(9,131-47-125-211(3,111-32-76-180-60-16-92-196(152)153)112-33-77-181-61-17-93-197(154)155)132-48-126-212(4,113-34-78-182-62-18-94-198(156)157)114-35-79-183-63-19-95-199(158)159,142-54-138-218(10,133-49-127-213(5,115-36-80-184-64-20-96-200(160)161)116-37-81-185-65-21-97-201(162)163)134-50-128-214(6,117-38-82-186-66-22-98-202(164)165)118-39-83-187-67-23-99-203(166)167)143-55-139-219(11,135-51-129-215(7,119-40-84-188-68-24-100-204(168)169)120-41-85-189-69-25-101-205(170)171)136-52-130-216(8,121-42-86-190-70-26-102-206(172)173)122-43-87-191-71-27-103-207(174)175;;;;;;;;;;;;;;;;/h12-143H2,1-11H3,(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175);;;;;;;;;;;;;;;;/q;16*+1/p-16
InChIKeyQWFQTKRDJKYNCA-UHFFFAOYSA-A
XLogP-9.18
TPSA642.08 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds176
Heavy Atoms236
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004288.02
LogP ≤ 5-9.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

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Frequently Asked Questions

What is the IUPAC name of CID 85469741?
The IUPAC name of CID 85469741 (CID 85469741) is not available.
What is the SMILES notation for CID 85469741?
The canonical SMILES for CID 85469741 is C[Si](CCCSCCCS(=O)[O-])(CCCSCCCS(=O)[O-])CCC[Si](CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])(CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-])CCC[Si](C)(CCCSCCCS(=O)[O-])CCCSCCCS(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of CID 85469741?
The InChIKey is QWFQTKRDJKYNCA-UHFFFAOYSA-A. The full InChI is InChI=1S/C143H313O32S32Si13.16Na/c1-209(107-28-72-176-56-12-88-192(144)145,108-29-73-177-57-13-89-193(146)147)123-44-104-208(105-45-124-210(2,109-30-74-178-58-14-90-194(148)149)110-31-75-179-59-15-91-195(150)151)106-46-140-220(141-53-137-217(9,131-47-125-211(3,111-32-76-180-60-16-92-196(152)153)112-33-77-181-61-17-93-197(154)155)132-48-126-212(4,113-34-78-182-62-18-94-198(156)157)114-35-79-183-63-19-95-199(158)159,142-54-138-218(10,133-49-127-213(5,115-36-80-184-64-20-96-200(160)161)116-37-81-185-65-21-97-201(162)163)134-50-128-214(6,117-38-82-186-66-22-98-202(164)165)118-39-83-187-67-23-99-203(166)167)143-55-139-219(11,135-51-129-215(7,119-40-84-188-68-24-100-204(168)169)120-41-85-189-69-25-101-205(170)171)136-52-130-216(8,121-42-86-190-70-26-102-206(172)173)122-43-87-191-71-27-103-207(174)175;;;;;;;;;;;;;;;;/h12-143H2,1-11H3,(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175);;;;;;;;;;;;;;;;/q;16*+1/p-16.
What are the key properties of CID 85469741?
CID 85469741 has a molecular weight of 4288.02 g/mol, XLogP of -9.18, 176 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for CID 85469741 is sourced from PubChem (CID 85469741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).