CID 158909603

C48H45BiSi4 — CID 158909603

IUPAC—
SMILES[BiH2].[SiH2][SiH3].c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H38Si2.Bi.H5Si2.2H/c1-7-19-41(20-8-1)49(42-21-9-2-10-22-42,43-23-11-3-12-24-43)47-35-31-39(32-36-47)40-33-37-48(38-34-40)50(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46;;1-2;;/h1-38H;;1H2,2H3;;
InChIKeyJGLZZCOKESHHJA-UHFFFAOYSA-N
MW943.21 g/mol
LogP3.09
Rot. Bonds9

About CID 158909603

CID 158909603 (PubChem CID 158909603) has the molecular formula C48H45BiSi4 and a molecular weight of 943.21 g/mol.

Molecular Properties

Compound NameCID 158909603
PubChem CID158909603
Molecular FormulaC48H45BiSi4
Molecular Weight943.21 g/mol
Exact Mass942.24
IUPAC Name—
SMILES[BiH2].[SiH2][SiH3].c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H38Si2.Bi.H5Si2.2H/c1-7-19-41(20-8-1)49(42-21-9-2-10-22-42,43-23-11-3-12-24-43)47-35-31-39(32-36-47)40-33-37-48(38-34-40)50(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46;;1-2;;/h1-38H;;1H2,2H3;;
InChIKeyJGLZZCOKESHHJA-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500943.21
LogP ≤ 53.09
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

[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
4-(4-triphenylsilylphenyl)aniline
CID 140709059
(4-fluorophenyl)-[4-(4-fluorophenyl)phenyl]-phenyl-(4-phenylphenyl)silane
CID 176748741
trimethyl-[4-[4-[4-[[4-[4-(4-methylphenyl)phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]phenyl]silane
CID 158510434
diphenyl-bis(4-pyridin-3-ylphenyl)silane
CID 89499878
diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane
CID 177495996
N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 163737553
tris[4-(3-fluorophenyl)phenyl]-phenylsilane
CID 176748674
(3-bromophenyl)-tris(4-phenylphenyl)silane
CID 169002873
triphenyl-[6-[4-(5-triphenylsilyl-2-pyridinyl)phenyl]-3-pyridinyl]silane
CID 177296299
N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]naphthalen-2-amine
CID 59720596
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-triphenylsilylphenyl)naphthalen-1-amine
CID 123242691

Frequently Asked Questions

What is the IUPAC name of CID 158909603?
The IUPAC name of CID 158909603 (CID 158909603) is not available.
What is the SMILES notation for CID 158909603?
The canonical SMILES for CID 158909603 is [BiH2].[SiH2][SiH3].c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of CID 158909603?
The InChIKey is JGLZZCOKESHHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38Si2.Bi.H5Si2.2H/c1-7-19-41(20-8-1)49(42-21-9-2-10-22-42,43-23-11-3-12-24-43)47-35-31-39(32-36-47)40-33-37-48(38-34-40)50(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46;;1-2;;/h1-38H;;1H2,2H3;;.
What are the key properties of CID 158909603?
CID 158909603 has a molecular weight of 943.21 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158909603 is sourced from PubChem (CID 158909603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).