(3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane

C49H34SSi — CID 58421117

IUPAC(3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C49H34SSi/c1-3-18-37(19-4-1)51(38-20-5-2-6-21-38,39-22-11-16-34(31-39)42-26-13-28-44-41-24-8-7-15-36(41)33-47(42)44)40-23-12-17-35(32-40)43-27-14-29-46-45-25-9-10-30-48(45)50-49(43)46/h1-32H,33H2
InChIKeyUQYAUBHPYUMQKN-UHFFFAOYSA-N
MW682.96 g/mol
LogP10.34
Rot. Bonds6

About (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane

(3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane (PubChem CID 58421117) has the molecular formula C49H34SSi and a molecular weight of 682.96 g/mol. Its IUPAC name is (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Name(3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane
PubChem CID58421117
Molecular FormulaC49H34SSi
Molecular Weight682.96 g/mol
Exact Mass682.22
IUPAC Name(3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C49H34SSi/c1-3-18-37(19-4-1)51(38-20-5-2-6-21-38,39-22-11-16-34(31-39)42-26-13-28-44-41-24-8-7-15-36(41)33-47(42)44)40-23-12-17-35(32-40)43-27-14-29-46-45-25-9-10-30-48(45)50-49(43)46/h1-32H,33H2
InChIKeyUQYAUBHPYUMQKN-UHFFFAOYSA-N
XLogP10.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.96
LogP ≤ 510.34
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

4-[9-(9H-fluoren-1-yl)chrysen-3-yl]dibenzothiophene
CID 171590545
4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 118346451
2-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]dibenzothiophene;4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene;4-[3-[4-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 158944259
[6-[3-(10H-benzo[b][1]benzoborinin-5-yl)phenyl]dibenzothiophen-2-yl]-triphenylsilane
CID 167542363
bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 161133194
2-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]dibenzofuran;4-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]dibenzothiophene;4-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]dibenzothiophene
CID 162196932
bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane
CID 159127228
(4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane
CID 140920363
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2,7-di(dibenzothiophen-4-yl)-10H-anthracen-9-one
CID 164765338
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-(9H-fluoren-3-yl)-6-(4-phenylphenyl)dibenzothiophene
CID 157122579

Frequently Asked Questions

What is the IUPAC name of (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane?
The IUPAC name of (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane (CID 58421117) is (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane.
What is the SMILES notation for (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane?
The canonical SMILES for (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane?
The InChIKey is UQYAUBHPYUMQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34SSi/c1-3-18-37(19-4-1)51(38-20-5-2-6-21-38,39-22-11-16-34(31-39)42-26-13-28-44-41-24-8-7-15-36(41)33-47(42)44)40-23-12-17-35(32-40)43-27-14-29-46-45-25-9-10-30-48(45)50-49(43)46/h1-32H,33H2.
What are the key properties of (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane?
(3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane has a molecular weight of 682.96 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 58421117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).