[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane

C44H33NSSi — CID 58049768

IUPAC[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2sc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C44H33NSSi/c1-30-18-22-41-37(26-30)38-27-31(2)19-23-42(38)45(41)32-20-24-43-39(28-32)40-29-36(21-25-44(40)46-43)47(33-12-6-3-7-13-33,34-14-8-4-9-15-34)35-16-10-5-11-17-35/h3-29H,1-2H3
InChIKeyLJLWUSOGXGUNQF-UHFFFAOYSA-N
MW635.91 g/mol
LogP9.15
Rot. Bonds5

About [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane

[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane (PubChem CID 58049768) has the molecular formula C44H33NSSi and a molecular weight of 635.91 g/mol. Its IUPAC name is [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane
PubChem CID58049768
Molecular FormulaC44H33NSSi
Molecular Weight635.91 g/mol
Exact Mass635.21
IUPAC Name[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2sc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C44H33NSSi/c1-30-18-22-41-37(26-30)38-27-31(2)19-23-42(38)45(41)32-20-24-43-39(28-32)40-29-36(21-25-44(40)46-43)47(33-12-6-3-7-13-33,34-14-8-4-9-15-34)35-16-10-5-11-17-35/h3-29H,1-2H3
InChIKeyLJLWUSOGXGUNQF-UHFFFAOYSA-N
XLogP9.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.91
LogP ≤ 59.15
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

dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 174139185
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane
CID 171061198
[9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 159127596
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842470
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
triphenyl-[3-[3-[3-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588745
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
CID 164756561

Frequently Asked Questions

What is the IUPAC name of [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane?
The IUPAC name of [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane (CID 58049768) is [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane.
What is the SMILES notation for [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane?
The canonical SMILES for [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2sc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2c1.
What is the InChIKey of [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane?
The InChIKey is LJLWUSOGXGUNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NSSi/c1-30-18-22-41-37(26-30)38-27-31(2)19-23-42(38)45(41)32-20-24-43-39(28-32)40-29-36(21-25-44(40)46-43)47(33-12-6-3-7-13-33,34-14-8-4-9-15-34)35-16-10-5-11-17-35/h3-29H,1-2H3.
What are the key properties of [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane?
[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane has a molecular weight of 635.91 g/mol, XLogP of 9.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane is sourced from PubChem (CID 58049768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).