ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane

C44H44N2Si2 — CID 59399853

IUPACethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane
SMILESCC[Si](C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3cc([Si](C)(C)CC)ccc32)c1
InChIInChI=1S/C44H44N2Si2/c1-7-47(3,4)35-22-24-43-39(29-35)37-18-12-14-20-41(37)45(43)33-26-32(31-16-10-9-11-17-31)27-34(28-33)46-42-21-15-13-19-38(42)40-30-36(23-25-44(40)46)48(5,6)8-2/h9-30H,7-8H2,1-6H3
InChIKeyYZMFQKJULAYLCG-UHFFFAOYSA-N
MW657.02 g/mol
LogP11.42
Rot. Bonds7

About ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane

ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane (PubChem CID 59399853) has the molecular formula C44H44N2Si2 and a molecular weight of 657.02 g/mol. Its IUPAC name is ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane.

Molecular Properties

Compound Nameethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane
PubChem CID59399853
Molecular FormulaC44H44N2Si2
Molecular Weight657.02 g/mol
Exact Mass656.30
IUPAC Nameethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane
SMILESCC[Si](C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3cc([Si](C)(C)CC)ccc32)c1
InChIInChI=1S/C44H44N2Si2/c1-7-47(3,4)35-22-24-43-39(29-35)37-18-12-14-20-41(37)45(43)33-26-32(31-16-10-9-11-17-31)27-34(28-33)46-42-21-15-13-19-38(42)40-30-36(23-25-44(40)46)48(5,6)8-2/h9-30H,7-8H2,1-6H3
InChIKeyYZMFQKJULAYLCG-UHFFFAOYSA-N
XLogP11.42
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.02
LogP ≤ 511.42
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

9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane
CID 59489119
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane
CID 148605832
[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 89027796
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405

Frequently Asked Questions

What is the IUPAC name of ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane?
The IUPAC name of ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane (CID 59399853) is ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane.
What is the SMILES notation for ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane?
The canonical SMILES for ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane is CC[Si](C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3cc([Si](C)(C)CC)ccc32)c1.
What is the InChIKey of ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane?
The InChIKey is YZMFQKJULAYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2Si2/c1-7-47(3,4)35-22-24-43-39(29-35)37-18-12-14-20-41(37)45(43)33-26-32(31-16-10-9-11-17-31)27-34(28-33)46-42-21-15-13-19-38(42)40-30-36(23-25-44(40)46)48(5,6)8-2/h9-30H,7-8H2,1-6H3.
What are the key properties of ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane?
ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane has a molecular weight of 657.02 g/mol, XLogP of 11.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane is sourced from PubChem (CID 59399853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).