[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane

C42H31NSSi — CID 140878114

IUPAC[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
SMILESC1=CC2c3ccccc3N(c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)C2C=C1
InChIInChI=1S/C42H31NSSi/c1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43/h1-29,34,38H
InChIKeyGEKNMXIFNHHZNK-UHFFFAOYSA-N
MW609.87 g/mol
LogP8.16
Rot. Bonds5

About [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane

[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane (PubChem CID 140878114) has the molecular formula C42H31NSSi and a molecular weight of 609.87 g/mol. Its IUPAC name is [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane.

Molecular Properties

Compound Name[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
PubChem CID140878114
Molecular FormulaC42H31NSSi
Molecular Weight609.87 g/mol
Exact Mass609.19
IUPAC Name[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
SMILESC1=CC2c3ccccc3N(c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)C2C=C1
InChIInChI=1S/C42H31NSSi/c1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43/h1-29,34,38H
InChIKeyGEKNMXIFNHHZNK-UHFFFAOYSA-N
XLogP8.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.87
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007138
(3-chlorophenyl)-dibenzothiophen-4-yl-diphenylsilane
CID 155603139
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene
CID 161297195
(3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane
CID 154007176
[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
CID 164757111
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole
CID 170086538
dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
CID 140776683

Frequently Asked Questions

What is the IUPAC name of [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane?
The IUPAC name of [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane (CID 140878114) is [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane.
What is the SMILES notation for [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane?
The canonical SMILES for [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane is C1=CC2c3ccccc3N(c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)C2C=C1.
What is the InChIKey of [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane?
The InChIKey is GEKNMXIFNHHZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31NSSi/c1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43/h1-29,34,38H.
What are the key properties of [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane?
[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane has a molecular weight of 609.87 g/mol, XLogP of 8.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane is sourced from PubChem (CID 140878114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).