[4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane

C30H27ClN2Si — CID 174141182

IUPAC[4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane
SMILESCc1cc(Cl)cc(-c2ccc3cc(-c4ccc(-c5ccc([Si](C)(C)C)cc5)nc4)cnc3c2)c1
InChIInChI=1S/C30H27ClN2Si/c1-20-13-25(16-27(31)14-20)22-5-6-23-15-26(19-33-30(23)17-22)24-9-12-29(32-18-24)21-7-10-28(11-8-21)34(2,3)4/h5-19H,1-4H3
InChIKeyNWYAGIKWSKJDGS-UHFFFAOYSA-N
MW479.10 g/mol
LogP8.14
Rot. Bonds4

About [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane

[4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane (PubChem CID 174141182) has the molecular formula C30H27ClN2Si and a molecular weight of 479.10 g/mol. Its IUPAC name is [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane
PubChem CID174141182
Molecular FormulaC30H27ClN2Si
Molecular Weight479.10 g/mol
Exact Mass478.16
IUPAC Name[4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane
SMILESCc1cc(Cl)cc(-c2ccc3cc(-c4ccc(-c5ccc([Si](C)(C)C)cc5)nc4)cnc3c2)c1
InChIInChI=1S/C30H27ClN2Si/c1-20-13-25(16-27(31)14-20)22-5-6-23-15-26(19-33-30(23)17-22)24-9-12-29(32-18-24)21-7-10-28(11-8-21)34(2,3)4/h5-19H,1-4H3
InChIKeyNWYAGIKWSKJDGS-UHFFFAOYSA-N
XLogP8.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.10
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane (CID 174141182) is [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane is Cc1cc(Cl)cc(-c2ccc3cc(-c4ccc(-c5ccc([Si](C)(C)C)cc5)nc4)cnc3c2)c1.
What is the InChIKey of [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane?
The InChIKey is NWYAGIKWSKJDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN2Si/c1-20-13-25(16-27(31)14-20)22-5-6-23-15-26(19-33-30(23)17-22)24-9-12-29(32-18-24)21-7-10-28(11-8-21)34(2,3)4/h5-19H,1-4H3.
What are the key properties of [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane?
[4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane has a molecular weight of 479.10 g/mol, XLogP of 8.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[7-(3-chloro-5-methylphenyl)quinolin-3-yl]-2-pyridinyl]phenyl]-trimethylsilane is sourced from PubChem (CID 174141182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).