[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane

C40H32N4Si — CID 155636088

IUPAC[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane
SMILESCc1cc(C)n(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)n1
InChIInChI=1S/C40H32N4Si/c1-29-26-30(2)44(42-29)31-14-13-19-34(27-31)45(32-15-5-3-6-16-32,33-17-7-4-8-18-33)35-23-24-37-36-20-9-10-21-38(36)43(39(37)28-35)40-22-11-12-25-41-40/h3-28H,1-2H3
InChIKeyIPDLGABRZMDYSA-UHFFFAOYSA-N
MW596.81 g/mol
LogP6.36
Rot. Bonds6

About [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane

[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane (PubChem CID 155636088) has the molecular formula C40H32N4Si and a molecular weight of 596.81 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane
PubChem CID155636088
Molecular FormulaC40H32N4Si
Molecular Weight596.81 g/mol
Exact Mass596.24
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane
SMILESCc1cc(C)n(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)n1
InChIInChI=1S/C40H32N4Si/c1-29-26-30(2)44(42-29)31-14-13-19-34(27-31)45(32-15-5-3-6-16-32,33-17-7-4-8-18-33)35-23-24-37-36-20-9-10-21-38(36)43(39(37)28-35)40-22-11-12-25-41-40/h3-28H,1-2H3
InChIKeyIPDLGABRZMDYSA-UHFFFAOYSA-N
XLogP6.36
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.81
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

diphenyl-(11-phenyl-12-pyridin-2-ylindolo[2,3-a]carbazol-2-yl)-(3-pyridin-2-ylphenyl)silane
CID 140951427
diphenyl-(9-phenylcarbazol-2-yl)-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane
CID 140842640
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+)
CID 159758959
2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanophenoxy]-9-pyridin-2-ylcarbazole
CID 155622974
9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole
CID 140716002
diphenyl-(9-phenylcarbazol-2-yl)-pyridin-2-ylsilane
CID 161189734
2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum
CID 158641122
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
CID 158391077
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane (CID 155636088) is [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane is Cc1cc(C)n(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)n1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane?
The InChIKey is IPDLGABRZMDYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N4Si/c1-29-26-30(2)44(42-29)31-14-13-19-34(27-31)45(32-15-5-3-6-16-32,33-17-7-4-8-18-33)35-23-24-37-36-20-9-10-21-38(36)43(39(37)28-35)40-22-11-12-25-41-40/h3-28H,1-2H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane?
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane has a molecular weight of 596.81 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane is sourced from PubChem (CID 155636088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).