[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane

C39H32OSi — CID 171056465

IUPAC[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3)cc2)cc1
InChIInChI=1S/C39H32OSi/c1-41(2,3)35-22-19-28(20-23-35)27-11-13-29(14-12-27)32-7-6-8-33(25-32)30-15-17-31(18-16-30)34-21-24-39-37(26-34)36-9-4-5-10-38(36)40-39/h4-26H,1-3H3
InChIKeyMUDDXLFKOAZOPD-UHFFFAOYSA-N
MW544.77 g/mol
LogP10.80
Rot. Bonds5

About [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane

[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 171056465) has the molecular formula C39H32OSi and a molecular weight of 544.77 g/mol. Its IUPAC name is [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
PubChem CID171056465
Molecular FormulaC39H32OSi
Molecular Weight544.77 g/mol
Exact Mass544.22
IUPAC Name[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3)cc2)cc1
InChIInChI=1S/C39H32OSi/c1-41(2,3)35-22-19-28(20-23-35)27-11-13-29(14-12-27)32-7-6-8-33(25-32)30-15-17-31(18-16-30)34-21-24-39-37(26-34)36-9-4-5-10-38(36)40-39/h4-26H,1-3H3
InChIKeyMUDDXLFKOAZOPD-UHFFFAOYSA-N
XLogP10.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.77
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 176645393
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
trimethyl-[4-[3-[3-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]silane
CID 176645273
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558
[4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645544

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane (CID 171056465) is [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3)cc2)cc1.
What is the InChIKey of [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane?
The InChIKey is MUDDXLFKOAZOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32OSi/c1-41(2,3)35-22-19-28(20-23-35)27-11-13-29(14-12-27)32-7-6-8-33(25-32)30-15-17-31(18-16-30)34-21-24-39-37(26-34)36-9-4-5-10-38(36)40-39/h4-26H,1-3H3.
What are the key properties of [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane?
[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 544.77 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 171056465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).