CID 59168485

C32H42Br4O2Si3 — CID 59168485

IUPAC—
SMILESCCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCCC[Si](C)(C)c3cc([Si](C)C)cc([Si](C)C)c3)c(Br)c2)cc1Br
InChIInChI=1S/C32H42Br4O2Si3/c1-10-37-30-26(33)14-21(15-27(30)34)32(2,3)22-16-28(35)31(29(36)17-22)38-12-11-13-41(8,9)25-19-23(39(4)5)18-24(20-25)40(6)7/h14-20H,10-13H2,1-9H3
InChIKeyFXNMCCBBNQEFMD-UHFFFAOYSA-N
MW862.56 g/mol
LogP9.77
Rot. Bonds12

About CID 59168485

CID 59168485 (PubChem CID 59168485) has the molecular formula C32H42Br4O2Si3 and a molecular weight of 862.56 g/mol.

Molecular Properties

Compound NameCID 59168485
PubChem CID59168485
Molecular FormulaC32H42Br4O2Si3
Molecular Weight862.56 g/mol
Exact Mass857.92
IUPAC Name—
SMILESCCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCCC[Si](C)(C)c3cc([Si](C)C)cc([Si](C)C)c3)c(Br)c2)cc1Br
InChIInChI=1S/C32H42Br4O2Si3/c1-10-37-30-26(33)14-21(15-27(30)34)32(2,3)22-16-28(35)31(29(36)17-22)38-12-11-13-41(8,9)25-19-23(39(4)5)18-24(20-25)40(6)7/h14-20H,10-13H2,1-9H3
InChIKeyFXNMCCBBNQEFMD-UHFFFAOYSA-N
XLogP9.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.56
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 58988381
CID 58988381
5-[4-[2-[4-(4-aminopentoxy)-3,5-dibromophenyl]propan-2-yl]-2,6-dibromophenoxy]pentan-2-amine
CID 101327185
1,3-dibromo-5-[2-(3,5-dibromo-4-ethoxyphenyl)propan-2-yl]-2-methylbenzene;bis(2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol)
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1,3-dibromo-5-[2-(3,5-dibromo-4-hex-5-enoxyphenyl)propan-2-yl]-2-hex-5-enoxybenzene
CID 59551592
2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 160813458
2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol
CID 176584525
2-but-3-enoxy-5-[2-(4-but-3-enoxy-3,5-dichlorophenyl)propan-2-yl]-1,3-dichlorobenzene;1,3-dibromo-2-but-3-enoxy-5-[2-(3,5-dibromo-4-but-3-enoxyphenyl)propan-2-yl]benzene;1,3-dibromo-5-[2-(3,5-dibromo-4-pent-4-enoxyphenyl)propan-2-yl]-2-pent-4-enoxybenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enoxybenzene;1,3-dichloro-5-[2-(3,5-dichloro-4-pent-4-enoxyphenyl)propan-2-yl]-2-pent-4-enoxybenzene;1,3-dichloro-5-[2-(3,5-dichloro-4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enoxybenzene
CID 159018125
1,3-dibromo-2-(3-bromo-2-butoxypropoxy)-5-[2-[3,5-dibromo-4-(3-bromo-2-butoxypropoxy)phenyl]propan-2-yl]benzene
CID 139800300
CID 161016170
CID 161016170
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156933
3-bromo-2-butoxy-5-tert-butylbenzaldehyde
CID 87533116
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane
CID 161440425

Frequently Asked Questions

What is the IUPAC name of CID 59168485?
The IUPAC name of CID 59168485 (CID 59168485) is not available.
What is the SMILES notation for CID 59168485?
The canonical SMILES for CID 59168485 is CCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCCC[Si](C)(C)c3cc([Si](C)C)cc([Si](C)C)c3)c(Br)c2)cc1Br.
What is the InChIKey of CID 59168485?
The InChIKey is FXNMCCBBNQEFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42Br4O2Si3/c1-10-37-30-26(33)14-21(15-27(30)34)32(2,3)22-16-28(35)31(29(36)17-22)38-12-11-13-41(8,9)25-19-23(39(4)5)18-24(20-25)40(6)7/h14-20H,10-13H2,1-9H3.
What are the key properties of CID 59168485?
CID 59168485 has a molecular weight of 862.56 g/mol, XLogP of 9.77, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59168485 is sourced from PubChem (CID 59168485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).