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

C56H46N4Si2 — CID 54154794

IUPAC3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine
SMILESC[Si]1=C(c2cccnc2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2cccnc2)C(c2ccccc2)=C(c2ccccc2)C(c2cccnc2)=[Si]1C)c1cccnc1
InChIInChI=1S/C56H46N4Si2/c1-61-53(45-27-15-33-57-37-45)49(41-19-7-3-8-20-41)51(43-23-11-5-12-24-43)55(61,47-29-17-35-59-39-47)31-32-56(48-30-18-36-60-40-48)52(44-25-13-6-14-26-44)50(42-21-9-4-10-22-42)54(62(56)2)46-28-16-34-58-38-46/h3-30,33-40H,31-32H2,1-2H3
InChIKeyOKGUFCQEDNIPKT-UHFFFAOYSA-N
MW831.18 g/mol
LogP11.40
Rot. Bonds11

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

3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine (PubChem CID 54154794) has the molecular formula C56H46N4Si2 and a molecular weight of 831.18 g/mol. Its IUPAC name is 3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine
PubChem CID54154794
Molecular FormulaC56H46N4Si2
Molecular Weight831.18 g/mol
Exact Mass830.33
IUPAC Name3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine
SMILESC[Si]1=C(c2cccnc2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2cccnc2)C(c2ccccc2)=C(c2ccccc2)C(c2cccnc2)=[Si]1C)c1cccnc1
InChIInChI=1S/C56H46N4Si2/c1-61-53(45-27-15-33-57-37-45)49(41-19-7-3-8-20-41)51(43-23-11-5-12-24-43)55(61,47-29-17-35-59-39-47)31-32-56(48-30-18-36-60-40-48)52(44-25-13-6-14-26-44)50(42-21-9-4-10-22-42)54(62(56)2)46-28-16-34-58-38-46/h3-30,33-40H,31-32H2,1-2H3
InChIKeyOKGUFCQEDNIPKT-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 3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine?
The IUPAC name of 3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine (CID 54154794) is 3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine.
What is the SMILES notation for 3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine?
The canonical SMILES for 3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine is C[Si]1=C(c2cccnc2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2cccnc2)C(c2ccccc2)=C(c2ccccc2)C(c2cccnc2)=[Si]1C)c1cccnc1.
What is the InChIKey of 3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine?
The InChIKey is OKGUFCQEDNIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4Si2/c1-61-53(45-27-15-33-57-37-45)49(41-19-7-3-8-20-41)51(43-23-11-5-12-24-43)55(61,47-29-17-35-59-39-47)31-32-56(48-30-18-36-60-40-48)52(44-25-13-6-14-26-44)50(42-21-9-4-10-22-42)54(62(56)2)46-28-16-34-58-38-46/h3-30,33-40H,31-32H2,1-2H3.
What are the key properties of 3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine?
3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-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 3-[1-methyl-2-[2-(1-methyl-3,4-diphenyl-2,5-dipyridin-3-ylsilol-2-yl)ethyl]-3,4-diphenyl-5-pyridin-3-ylsilol-2-yl]pyridine is sourced from PubChem (CID 54154794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).