trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane

C29H26N2Si — CID 169294073

IUPACtrimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2ccc3ccc(-c4ccc(-c5ccncc5)nc4)cc3c2)cc1
InChIInChI=1S/C29H26N2Si/c1-32(2,3)28-11-8-21(9-12-28)24-6-4-22-5-7-25(19-27(22)18-24)26-10-13-29(31-20-26)23-14-16-30-17-15-23/h4-20H,1-3H3
InChIKeyPMDYGBWISOBFQM-UHFFFAOYSA-N
MW430.63 g/mol
LogP7.18
Rot. Bonds4

About trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane

trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane (PubChem CID 169294073) has the molecular formula C29H26N2Si and a molecular weight of 430.63 g/mol. Its IUPAC name is trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane
PubChem CID169294073
Molecular FormulaC29H26N2Si
Molecular Weight430.63 g/mol
Exact Mass430.19
IUPAC Nametrimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2ccc3ccc(-c4ccc(-c5ccncc5)nc4)cc3c2)cc1
InChIInChI=1S/C29H26N2Si/c1-32(2,3)28-11-8-21(9-12-28)24-6-4-22-5-7-25(19-27(22)18-24)26-10-13-29(31-20-26)23-14-16-30-17-15-23/h4-20H,1-3H3
InChIKeyPMDYGBWISOBFQM-UHFFFAOYSA-N
XLogP7.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 57.18
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 trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane?
The IUPAC name of trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane (CID 169294073) is trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2ccc3ccc(-c4ccc(-c5ccncc5)nc4)cc3c2)cc1.
What is the InChIKey of trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane?
The InChIKey is PMDYGBWISOBFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2Si/c1-32(2,3)28-11-8-21(9-12-28)24-6-4-22-5-7-25(19-27(22)18-24)26-10-13-29(31-20-26)23-14-16-30-17-15-23/h4-20H,1-3H3.
What are the key properties of trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane?
trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane has a molecular weight of 430.63 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[7-(6-pyridin-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]silane is sourced from PubChem (CID 169294073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).