(3-bromophenyl)-tris(4-phenylphenyl)silane

C42H31BrSi — CID 169002873

IUPAC(3-bromophenyl)-tris(4-phenylphenyl)silane
SMILESBrc1cccc([Si](c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C42H31BrSi/c43-38-17-10-18-42(31-38)44(39-25-19-35(20-26-39)32-11-4-1-5-12-32,40-27-21-36(22-28-40)33-13-6-2-7-14-33)41-29-23-37(24-30-41)34-15-8-3-9-16-34/h1-31H
InChIKeySZBXXYXTHODDMC-UHFFFAOYSA-N
MW643.70 g/mol
LogP8.83
Rot. Bonds7

About (3-bromophenyl)-tris(4-phenylphenyl)silane

(3-bromophenyl)-tris(4-phenylphenyl)silane (PubChem CID 169002873) has the molecular formula C42H31BrSi and a molecular weight of 643.70 g/mol. Its IUPAC name is (3-bromophenyl)-tris(4-phenylphenyl)silane.

Molecular Properties

Compound Name(3-bromophenyl)-tris(4-phenylphenyl)silane
PubChem CID169002873
Molecular FormulaC42H31BrSi
Molecular Weight643.70 g/mol
Exact Mass642.14
IUPAC Name(3-bromophenyl)-tris(4-phenylphenyl)silane
SMILESBrc1cccc([Si](c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C42H31BrSi/c43-38-17-10-18-42(31-38)44(39-25-19-35(20-26-39)32-11-4-1-5-12-32,40-27-21-36(22-28-40)33-13-6-2-7-14-33)41-29-23-37(24-30-41)34-15-8-3-9-16-34/h1-31H
InChIKeySZBXXYXTHODDMC-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.70
LogP ≤ 58.83
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-bromophenyl)-triphenylsilane
CID 158328099
[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168800170
(3-bromo-5-triphenylsilylphenyl)-triphenylsilane
CID 87693758
1-bromo-3-phenylbenzene
CID 16449
[3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 158387824
tris[4-(3-fluorophenyl)phenyl]-phenylsilane
CID 176748674
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
(4-fluorophenyl)-[4-(4-fluorophenyl)phenyl]-phenyl-(4-phenylphenyl)silane
CID 176748741
tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
CID 176748689
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-tris(4-phenylphenyl)silane?
The IUPAC name of (3-bromophenyl)-tris(4-phenylphenyl)silane (CID 169002873) is (3-bromophenyl)-tris(4-phenylphenyl)silane.
What is the SMILES notation for (3-bromophenyl)-tris(4-phenylphenyl)silane?
The canonical SMILES for (3-bromophenyl)-tris(4-phenylphenyl)silane is Brc1cccc([Si](c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of (3-bromophenyl)-tris(4-phenylphenyl)silane?
The InChIKey is SZBXXYXTHODDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31BrSi/c43-38-17-10-18-42(31-38)44(39-25-19-35(20-26-39)32-11-4-1-5-12-32,40-27-21-36(22-28-40)33-13-6-2-7-14-33)41-29-23-37(24-30-41)34-15-8-3-9-16-34/h1-31H.
What are the key properties of (3-bromophenyl)-tris(4-phenylphenyl)silane?
(3-bromophenyl)-tris(4-phenylphenyl)silane has a molecular weight of 643.70 g/mol, XLogP of 8.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-tris(4-phenylphenyl)silane is sourced from PubChem (CID 169002873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).