(3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane

C30H23BrSi — CID 164843260

IUPAC(3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3c([2H])c([2H])c([2H])c(Br)c3[2H])c2)c([2H])c1[2H]
InChIInChI=1S/C30H23BrSi/c31-26-15-11-21-30(23-26)32(27-16-6-2-7-17-27,28-18-8-3-9-19-28)29-20-10-14-25(22-29)24-12-4-1-5-13-24/h1-23H/i1D,4D,5D,11D,12D,13D,15D,21D,23D
InChIKeyQLCBOFAYPPINFR-ZJLMRXPHSA-N
MW500.56 g/mol
LogP5.49
Rot. Bonds5

About (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane

(3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane (PubChem CID 164843260) has the molecular formula C30H23BrSi and a molecular weight of 500.56 g/mol. Its IUPAC name is (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane.

Molecular Properties

Compound Name(3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
PubChem CID164843260
Molecular FormulaC30H23BrSi
Molecular Weight500.56 g/mol
Exact Mass499.13
IUPAC Name(3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3c([2H])c([2H])c([2H])c(Br)c3[2H])c2)c([2H])c1[2H]
InChIInChI=1S/C30H23BrSi/c31-26-15-11-21-30(23-26)32(27-16-6-2-7-17-27,28-18-8-3-9-19-28)29-20-10-14-25(22-29)24-12-4-1-5-13-24/h1-23H/i1D,4D,5D,11D,12D,13D,15D,21D,23D
InChIKeyQLCBOFAYPPINFR-ZJLMRXPHSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168800170
[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[2,4,6-trideuterio-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]silane
CID 169031735
1-(3-bromophenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 88865397
CID 168800186
CID 168800186
(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
CID 162701572
[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 164756518
diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane
CID 170660205
[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-phenyl-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]silane
CID 176751583
[3-[4,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-bis(2,3,4,5,6-pentadeuteriophenyl)-phenylsilane
CID 164843272
(3-bromophenyl)-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-diphenylsilane
CID 177083272
triphenyl-[2,4,6-trideuterio-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]silane
CID 170660160
(3-bromophenyl)-triphenylsilane
CID 158328099

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?
The IUPAC name of (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane (CID 164843260) is (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane.
What is the SMILES notation for (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?
The canonical SMILES for (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane is [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3c([2H])c([2H])c([2H])c(Br)c3[2H])c2)c([2H])c1[2H].
What is the InChIKey of (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?
The InChIKey is QLCBOFAYPPINFR-ZJLMRXPHSA-N. The full InChI is InChI=1S/C30H23BrSi/c31-26-15-11-21-30(23-26)32(27-16-6-2-7-17-27,28-18-8-3-9-19-28)29-20-10-14-25(22-29)24-12-4-1-5-13-24/h1-23H/i1D,4D,5D,11D,12D,13D,15D,21D,23D.
What are the key properties of (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?
(3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane has a molecular weight of 500.56 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4,5,6-tetradeuteriophenyl)-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane is sourced from PubChem (CID 164843260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).