(3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane

C31H24SSi — CID 123792211

IUPAC(3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C31H24SSi/c1-33(25-12-4-2-5-13-25,26-14-6-3-7-15-26)27-16-10-11-23(21-27)24-19-20-31-29(22-24)28-17-8-9-18-30(28)32-31/h2-22H,1H3
InChIKeyVPPVSGWUBOPEIT-UHFFFAOYSA-N
MW456.69 g/mol
LogP6.82
Rot. Bonds4

About (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane

(3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane (PubChem CID 123792211) has the molecular formula C31H24SSi and a molecular weight of 456.69 g/mol. Its IUPAC name is (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane.

Molecular Properties

Compound Name(3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane
PubChem CID123792211
Molecular FormulaC31H24SSi
Molecular Weight456.69 g/mol
Exact Mass456.14
IUPAC Name(3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C31H24SSi/c1-33(25-12-4-2-5-13-25,26-14-6-3-7-15-26)27-16-10-11-23(21-27)24-19-20-31-29(22-24)28-17-8-9-18-30(28)32-31/h2-22H,1H3
InChIKeyVPPVSGWUBOPEIT-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.69
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056513
[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane
CID 171056255
dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
CID 90250529
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
CID 171056497
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 161440420

Frequently Asked Questions

What is the IUPAC name of (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane?
The IUPAC name of (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane (CID 123792211) is (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane.
What is the SMILES notation for (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane?
The canonical SMILES for (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane is C[Si](c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane?
The InChIKey is VPPVSGWUBOPEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24SSi/c1-33(25-12-4-2-5-13-25,26-14-6-3-7-15-26)27-16-10-11-23(21-27)24-19-20-31-29(22-24)28-17-8-9-18-30(28)32-31/h2-22H,1H3.
What are the key properties of (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane?
(3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane has a molecular weight of 456.69 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane is sourced from PubChem (CID 123792211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).