2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane

C28H24N2Si — CID 11384508

IUPAC2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane
SMILESC[Si](C)(C=C(c1cccc2ccccc12)c1cccc2ccccc12)c1ncccn1
InChIInChI=1S/C28H24N2Si/c1-31(2,28-29-18-9-19-30-28)20-27(25-16-7-12-21-10-3-5-14-23(21)25)26-17-8-13-22-11-4-6-15-24(22)26/h3-20H,1-2H3
InChIKeyCLQPFYAAWVRTNV-UHFFFAOYSA-N
MW416.60 g/mol
LogP6.37
Rot. Bonds4

About 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane

2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane (PubChem CID 11384508) has the molecular formula C28H24N2Si and a molecular weight of 416.60 g/mol. Its IUPAC name is 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane.

Molecular Properties

Compound Name2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane
PubChem CID11384508
Molecular FormulaC28H24N2Si
Molecular Weight416.60 g/mol
Exact Mass416.17
IUPAC Name2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane
SMILESC[Si](C)(C=C(c1cccc2ccccc12)c1cccc2ccccc12)c1ncccn1
InChIInChI=1S/C28H24N2Si/c1-31(2,28-29-18-9-19-30-28)20-27(25-16-7-12-21-10-3-5-14-23(21)25)26-17-8-13-22-11-4-6-15-24(22)26/h3-20H,1-2H3
InChIKeyCLQPFYAAWVRTNV-UHFFFAOYSA-N
XLogP6.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 56.37
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 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane?
The IUPAC name of 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane (CID 11384508) is 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane.
What is the SMILES notation for 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane?
The canonical SMILES for 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane is C[Si](C)(C=C(c1cccc2ccccc12)c1cccc2ccccc12)c1ncccn1.
What is the InChIKey of 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane?
The InChIKey is CLQPFYAAWVRTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2Si/c1-31(2,28-29-18-9-19-30-28)20-27(25-16-7-12-21-10-3-5-14-23(21)25)26-17-8-13-22-11-4-6-15-24(22)26/h3-20H,1-2H3.
What are the key properties of 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane?
2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane has a molecular weight of 416.60 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dinaphthalen-1-ylethenyl-dimethyl-pyrimidin-2-ylsilane is sourced from PubChem (CID 11384508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).