2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran

C35H28O2Si — CID 54212130

IUPAC2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran
SMILESCC[Si]1(C)C(c2cc3ccccc3o2)=C(c2ccccc2)C(c2ccccc2)=C1c1cc2ccccc2o1
InChIInChI=1S/C35H28O2Si/c1-3-38(2)34(30-22-26-18-10-12-20-28(26)36-30)32(24-14-6-4-7-15-24)33(25-16-8-5-9-17-25)35(38)31-23-27-19-11-13-21-29(27)37-31/h4-23H,3H2,1-2H3
InChIKeyPWQVKGDKTDTECC-UHFFFAOYSA-N
MW508.69 g/mol
LogP9.89
Rot. Bonds5

About 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran

2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran (PubChem CID 54212130) has the molecular formula C35H28O2Si and a molecular weight of 508.69 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran
PubChem CID54212130
Molecular FormulaC35H28O2Si
Molecular Weight508.69 g/mol
Exact Mass508.19
IUPAC Name2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran
SMILESCC[Si]1(C)C(c2cc3ccccc3o2)=C(c2ccccc2)C(c2ccccc2)=C1c1cc2ccccc2o1
InChIInChI=1S/C35H28O2Si/c1-3-38(2)34(30-22-26-18-10-12-20-28(26)36-30)32(24-14-6-4-7-15-24)33(25-16-8-5-9-17-25)35(38)31-23-27-19-11-13-21-29(27)37-31/h4-23H,3H2,1-2H3
InChIKeyPWQVKGDKTDTECC-UHFFFAOYSA-N
XLogP9.89
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.69
LogP ≤ 59.89
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

4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole
CID 54471201
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
2-(3-chloro-5-phenylphenyl)-1-benzofuran
CID 144661171
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran (CID 54212130) is 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran is CC[Si]1(C)C(c2cc3ccccc3o2)=C(c2ccccc2)C(c2ccccc2)=C1c1cc2ccccc2o1.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran?
The InChIKey is PWQVKGDKTDTECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O2Si/c1-3-38(2)34(30-22-26-18-10-12-20-28(26)36-30)32(24-14-6-4-7-15-24)33(25-16-8-5-9-17-25)35(38)31-23-27-19-11-13-21-29(27)37-31/h4-23H,3H2,1-2H3.
What are the key properties of 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran?
2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran has a molecular weight of 508.69 g/mol, XLogP of 9.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)-1-ethyl-1-methyl-3,4-diphenylsilol-2-yl]-1-benzofuran is sourced from PubChem (CID 54212130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).