2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine

C56H46N4Si2 — CID 54274619

IUPAC2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine
SMILESC[Si]1=C(c2ccccn2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2ccccn2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccn2)=[Si]1C)c1ccccn1
InChIInChI=1S/C56H46N4Si2/c1-61-53(45-31-15-19-37-57-45)49(41-23-7-3-8-24-41)51(43-27-11-5-12-28-43)55(61,47-33-17-21-39-59-47)35-36-56(48-34-18-22-40-60-48)52(44-29-13-6-14-30-44)50(42-25-9-4-10-26-42)54(62(56)2)46-32-16-20-38-58-46/h3-34,37-40H,35-36H2,1-2H3
InChIKeyRMNUPWHIAAKZOS-UHFFFAOYSA-N
MW831.18 g/mol
LogP11.40
Rot. Bonds11

About 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine

2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine (PubChem CID 54274619) has the molecular formula C56H46N4Si2 and a molecular weight of 831.18 g/mol. Its IUPAC name is 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine
PubChem CID54274619
Molecular FormulaC56H46N4Si2
Molecular Weight831.18 g/mol
Exact Mass830.33
IUPAC Name2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine
SMILESC[Si]1=C(c2ccccn2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2ccccn2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccn2)=[Si]1C)c1ccccn1
InChIInChI=1S/C56H46N4Si2/c1-61-53(45-31-15-19-37-57-45)49(41-23-7-3-8-24-41)51(43-27-11-5-12-28-43)55(61,47-33-17-21-39-59-47)35-36-56(48-34-18-22-40-60-48)52(44-29-13-6-14-30-44)50(42-25-9-4-10-26-42)54(62(56)2)46-32-16-20-38-58-46/h3-34,37-40H,35-36H2,1-2H3
InChIKeyRMNUPWHIAAKZOS-UHFFFAOYSA-N
XLogP11.40
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.18
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine?
The IUPAC name of 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine (CID 54274619) is 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine.
What is the SMILES notation for 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine?
The canonical SMILES for 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine is C[Si]1=C(c2ccccn2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2ccccn2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccn2)=[Si]1C)c1ccccn1.
What is the InChIKey of 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine?
The InChIKey is RMNUPWHIAAKZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4Si2/c1-61-53(45-31-15-19-37-57-45)49(41-23-7-3-8-24-41)51(43-27-11-5-12-28-43)55(61,47-33-17-21-39-59-47)35-36-56(48-34-18-22-40-60-48)52(44-29-13-6-14-30-44)50(42-25-9-4-10-26-42)54(62(56)2)46-32-16-20-38-58-46/h3-34,37-40H,35-36H2,1-2H3.
What are the key properties of 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine?
2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine has a molecular weight of 831.18 g/mol, XLogP of 11.40, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-2-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-2-ylsilol-2-yl]pyridine is sourced from PubChem (CID 54274619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).