CID 23150360

C54H90Br2O2Si2 — CID 23150360

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC(C)(C)[Si]OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O[Si]C(C)(C)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H90Br2O2Si2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-53(3,4)59-57-51-49-43-45(55)37-39-47(49)48-40-38-46(56)44-50(48)52(51)58-60-54(5,6)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-40,43-44,51-52H,7-36,41-42H2,1-6H3
InChIKeyQKXITNILIBPYJP-UHFFFAOYSA-N
MW987.29 g/mol
LogP20.17
Rot. Bonds38

About CID 23150360

CID 23150360 (PubChem CID 23150360) has the molecular formula C54H90Br2O2Si2 and a molecular weight of 987.29 g/mol.

Molecular Properties

Compound NameCID 23150360
PubChem CID23150360
Molecular FormulaC54H90Br2O2Si2
Molecular Weight987.29 g/mol
Exact Mass984.48
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC(C)(C)[Si]OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O[Si]C(C)(C)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H90Br2O2Si2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-53(3,4)59-57-51-49-43-45(55)37-39-47(49)48-40-38-46(56)44-50(48)52(51)58-60-54(5,6)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-40,43-44,51-52H,7-36,41-42H2,1-6H3
InChIKeyQKXITNILIBPYJP-UHFFFAOYSA-N
XLogP20.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.29
LogP ≤ 520.17
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

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6-Bromo-1,2,3,4-tetrahydro-1,1-dimethyl-4-(t-butyldimethylsilyloxy)naphthalene
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2,7-Dibromo-9,10-dihydrophenanthrene-9,10-diol
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Tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane
CID 23150362
(2,7-Dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane
CID 23150363
2,7-Dibromo-9,10-dihydroxy-9,10-dimethyl-9,10-dihydrophenanthrene
CID 23150364
2,7-Dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
CID 23150365
(2,7-Dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane
CID 23150367
2,7-Dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene
CID 23150368
Tert-butyl-[[2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane
CID 23150369
CID 23150371
CID 23150371

Frequently Asked Questions

What is the IUPAC name of CID 23150360?
The IUPAC name of CID 23150360 (CID 23150360) is not available.
What is the SMILES notation for CID 23150360?
The canonical SMILES for CID 23150360 is CCCCCCCCCCCCCCCCCC(C)(C)[Si]OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O[Si]C(C)(C)CCCCCCCCCCCCCCCCC.
What is the InChIKey of CID 23150360?
The InChIKey is QKXITNILIBPYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H90Br2O2Si2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-53(3,4)59-57-51-49-43-45(55)37-39-47(49)48-40-38-46(56)44-50(48)52(51)58-60-54(5,6)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-40,43-44,51-52H,7-36,41-42H2,1-6H3.
What are the key properties of CID 23150360?
CID 23150360 has a molecular weight of 987.29 g/mol, XLogP of 20.17, 38 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23150360 is sourced from PubChem (CID 23150360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).