1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane

C32H38Br2O2Si2 — CID 158971127

IUPAC1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane
SMILESBrc1cc(Br)cc(OCc2ccccc2)c1.C[Si](C)(C)c1cc(OCc2ccccc2)cc([Si](C)(C)C)c1
InChIInChI=1S/C19H28OSi2.C13H10Br2O/c1-21(2,3)18-12-17(13-19(14-18)22(4,5)6)20-15-16-10-8-7-9-11-16;14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h7-14H,15H2,1-6H3;1-8H,9H2
InChIKeyJNVHUKFHGHYJMQ-UHFFFAOYSA-N
MW670.63 g/mol
LogP9.15
Rot. Bonds8

About 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane

1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane (PubChem CID 158971127) has the molecular formula C32H38Br2O2Si2 and a molecular weight of 670.63 g/mol. Its IUPAC name is 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane.

Molecular Properties

Compound Name1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane
PubChem CID158971127
Molecular FormulaC32H38Br2O2Si2
Molecular Weight670.63 g/mol
Exact Mass668.08
IUPAC Name1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane
SMILESBrc1cc(Br)cc(OCc2ccccc2)c1.C[Si](C)(C)c1cc(OCc2ccccc2)cc([Si](C)(C)C)c1
InChIInChI=1S/C19H28OSi2.C13H10Br2O/c1-21(2,3)18-12-17(13-19(14-18)22(4,5)6)20-15-16-10-8-7-9-11-16;14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h7-14H,15H2,1-6H3;1-8H,9H2
InChIKeyJNVHUKFHGHYJMQ-UHFFFAOYSA-N
XLogP9.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.63
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene
CID 162421142
3-bromo-5-phenylmethoxypyridine
CID 15389198
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
CID 70121150
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone
CID 139225242
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
CID 164573942
3-bromo-5-phenylmethoxypyridin-1-ium-1-amine
CID 155777815

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane?
The IUPAC name of 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane (CID 158971127) is 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane.
What is the SMILES notation for 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane?
The canonical SMILES for 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane is Brc1cc(Br)cc(OCc2ccccc2)c1.C[Si](C)(C)c1cc(OCc2ccccc2)cc([Si](C)(C)C)c1.
What is the InChIKey of 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane?
The InChIKey is JNVHUKFHGHYJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28OSi2.C13H10Br2O/c1-21(2,3)18-12-17(13-19(14-18)22(4,5)6)20-15-16-10-8-7-9-11-16;14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h7-14H,15H2,1-6H3;1-8H,9H2.
What are the key properties of 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane?
1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane has a molecular weight of 670.63 g/mol, XLogP of 9.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane is sourced from PubChem (CID 158971127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).