3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline

C72H54N4Si2 — CID 54113112

IUPAC3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline
SMILESC[Si]1=C(c2cnc3ccccc3c2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2cnc3ccccc3c2)C(c2ccccc2)=C(c2ccccc2)C(c2cnc3ccccc3c2)=[Si]1C)c1cnc2ccccc2c1
InChIInChI=1S/C72H54N4Si2/c1-77-69(57-41-53-31-15-19-35-61(53)73-45-57)65(49-23-7-3-8-24-49)67(51-27-11-5-12-28-51)71(77,59-43-55-33-17-21-37-63(55)75-47-59)39-40-72(60-44-56-34-18-22-38-64(56)76-48-60)68(52-29-13-6-14-30-52)66(50-25-9-4-10-26-50)70(78(72)2)58-42-54-32-16-20-36-62(54)74-46-58/h3-38,41-48H,39-40H2,1-2H3
InChIKeyNIMDDLGZOPYJEJ-UHFFFAOYSA-N
MW1031.42 g/mol
LogP16.02
Rot. Bonds11

About 3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline

3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline (PubChem CID 54113112) has the molecular formula C72H54N4Si2 and a molecular weight of 1031.42 g/mol. Its IUPAC name is 3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline.

Molecular Properties

Compound Name3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline
PubChem CID54113112
Molecular FormulaC72H54N4Si2
Molecular Weight1031.42 g/mol
Exact Mass1030.39
IUPAC Name3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline
SMILESC[Si]1=C(c2cnc3ccccc3c2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2cnc3ccccc3c2)C(c2ccccc2)=C(c2ccccc2)C(c2cnc3ccccc3c2)=[Si]1C)c1cnc2ccccc2c1
InChIInChI=1S/C72H54N4Si2/c1-77-69(57-41-53-31-15-19-35-61(53)73-45-57)65(49-23-7-3-8-24-49)67(51-27-11-5-12-28-51)71(77,59-43-55-33-17-21-37-63(55)75-47-59)39-40-72(60-44-56-34-18-22-38-64(56)76-48-60)68(52-29-13-6-14-30-52)66(50-25-9-4-10-26-50)70(78(72)2)58-42-54-32-16-20-36-62(54)74-46-58/h3-38,41-48H,39-40H2,1-2H3
InChIKeyNIMDDLGZOPYJEJ-UHFFFAOYSA-N
XLogP16.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.42
LogP ≤ 516.02
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-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline?
The IUPAC name of 3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline (CID 54113112) is 3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline.
What is the SMILES notation for 3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline?
The canonical SMILES for 3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline is C[Si]1=C(c2cnc3ccccc3c2)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2cnc3ccccc3c2)C(c2ccccc2)=C(c2ccccc2)C(c2cnc3ccccc3c2)=[Si]1C)c1cnc2ccccc2c1.
What is the InChIKey of 3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline?
The InChIKey is NIMDDLGZOPYJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4Si2/c1-77-69(57-41-53-31-15-19-35-61(53)73-45-57)65(49-23-7-3-8-24-49)67(51-27-11-5-12-28-51)71(77,59-43-55-33-17-21-37-63(55)75-47-59)39-40-72(60-44-56-34-18-22-38-64(56)76-48-60)68(52-29-13-6-14-30-52)66(50-25-9-4-10-26-50)70(78(72)2)58-42-54-32-16-20-36-62(54)74-46-58/h3-38,41-48H,39-40H2,1-2H3.
What are the key properties of 3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline?
3-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline has a molecular weight of 1031.42 g/mol, XLogP of 16.02, 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-di(quinolin-3-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-3-ylsilol-2-yl]quinoline is sourced from PubChem (CID 54113112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).