2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine

C80H62N4Si2 — CID 54497386

IUPAC2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine
SMILESC[Si]1=C(c2ccc(-c3ccccc3)cn2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2ccc(-c3ccccc3)cn2)C(c2ccccc2)=C(c2ccccc2)C(c2ccc(-c3ccccc3)cn2)=[Si]1C)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C80H62N4Si2/c1-85-77(69-47-43-65(53-81-69)57-27-11-3-12-28-57)73(61-35-19-7-20-36-61)75(63-39-23-9-24-40-63)79(85,71-49-45-67(55-83-71)59-31-15-5-16-32-59)51-52-80(72-50-46-68(56-84-72)60-33-17-6-18-34-60)76(64-41-25-10-26-42-64)74(62-37-21-8-22-38-62)78(86(80)2)70-48-44-66(54-82-70)58-29-13-4-14-30-58/h3-50,53-56H,51-52H2,1-2H3
InChIKeyYABPXZNEWDHMKG-UHFFFAOYSA-N
MW1135.58 g/mol
LogP18.07
Rot. Bonds15

About 2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine

2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine (PubChem CID 54497386) has the molecular formula C80H62N4Si2 and a molecular weight of 1135.58 g/mol. Its IUPAC name is 2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine.

Molecular Properties

Compound Name2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine
PubChem CID54497386
Molecular FormulaC80H62N4Si2
Molecular Weight1135.58 g/mol
Exact Mass1134.45
IUPAC Name2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine
SMILESC[Si]1=C(c2ccc(-c3ccccc3)cn2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2ccc(-c3ccccc3)cn2)C(c2ccccc2)=C(c2ccccc2)C(c2ccc(-c3ccccc3)cn2)=[Si]1C)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C80H62N4Si2/c1-85-77(69-47-43-65(53-81-69)57-27-11-3-12-28-57)73(61-35-19-7-20-36-61)75(63-39-23-9-24-40-63)79(85,71-49-45-67(55-83-71)59-31-15-5-16-32-59)51-52-80(72-50-46-68(56-84-72)60-33-17-6-18-34-60)76(64-41-25-10-26-42-64)74(62-37-21-8-22-38-62)78(86(80)2)70-48-44-66(54-82-70)58-29-13-4-14-30-58/h3-50,53-56H,51-52H2,1-2H3
InChIKeyYABPXZNEWDHMKG-UHFFFAOYSA-N
XLogP18.07
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.58
LogP ≤ 518.07
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-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine?
The IUPAC name of 2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine (CID 54497386) is 2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine.
What is the SMILES notation for 2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine?
The canonical SMILES for 2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine is C[Si]1=C(c2ccc(-c3ccccc3)cn2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2ccc(-c3ccccc3)cn2)C(c2ccccc2)=C(c2ccccc2)C(c2ccc(-c3ccccc3)cn2)=[Si]1C)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine?
The InChIKey is YABPXZNEWDHMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N4Si2/c1-85-77(69-47-43-65(53-81-69)57-27-11-3-12-28-57)73(61-35-19-7-20-36-61)75(63-39-23-9-24-40-63)79(85,71-49-45-67(55-83-71)59-31-15-5-16-32-59)51-52-80(72-50-46-68(56-84-72)60-33-17-6-18-34-60)76(64-41-25-10-26-42-64)74(62-37-21-8-22-38-62)78(86(80)2)70-48-44-66(54-82-70)58-29-13-4-14-30-58/h3-50,53-56H,51-52H2,1-2H3.
What are the key properties of 2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine?
2-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine has a molecular weight of 1135.58 g/mol, XLogP of 18.07, 15 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-bis(5-phenyl-2-pyridinyl)silol-2-yl]ethyl]-3,4-diphenyl-5-(5-phenyl-2-pyridinyl)silol-2-yl]-5-phenylpyridine is sourced from PubChem (CID 54497386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).