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

C72H54N4Si2 — CID 87964872

IUPAC5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline
SMILESC[Si]1(CC[Si]2(C)C(c3cccc4ncccc34)=C(c3ccccc3)C(c3ccccc3)=C2c2cccc3ncccc23)C(c2cccc3ncccc23)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc2ncccc12
InChIInChI=1S/C72H54N4Si2/c1-77(69(57-31-15-39-61-53(57)35-19-43-73-61)65(49-23-7-3-8-24-49)66(50-25-9-4-10-26-50)70(77)58-32-16-40-62-54(58)36-20-44-74-62)47-48-78(2)71(59-33-17-41-63-55(59)37-21-45-75-63)67(51-27-11-5-12-28-51)68(52-29-13-6-14-30-52)72(78)60-34-18-42-64-56(60)38-22-46-76-64/h3-46H,47-48H2,1-2H3
InChIKeySNVIQJOOHCTNNV-UHFFFAOYSA-N
MW1031.42 g/mol
LogP17.96
Rot. Bonds11

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

5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline (PubChem CID 87964872) has the molecular formula C72H54N4Si2 and a molecular weight of 1031.42 g/mol. Its IUPAC name is 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline.

Molecular Properties

Compound Name5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline
PubChem CID87964872
Molecular FormulaC72H54N4Si2
Molecular Weight1031.42 g/mol
Exact Mass1030.39
IUPAC Name5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline
SMILESC[Si]1(CC[Si]2(C)C(c3cccc4ncccc34)=C(c3ccccc3)C(c3ccccc3)=C2c2cccc3ncccc23)C(c2cccc3ncccc23)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc2ncccc12
InChIInChI=1S/C72H54N4Si2/c1-77(69(57-31-15-39-61-53(57)35-19-43-73-61)65(49-23-7-3-8-24-49)66(50-25-9-4-10-26-50)70(77)58-32-16-40-62-54(58)36-20-44-74-62)47-48-78(2)71(59-33-17-41-63-55(59)37-21-45-75-63)67(51-27-11-5-12-28-51)68(52-29-13-6-14-30-52)72(78)60-34-18-42-64-56(60)38-22-46-76-64/h3-46H,47-48H2,1-2H3
InChIKeySNVIQJOOHCTNNV-UHFFFAOYSA-N
XLogP17.96
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 ≤ 517.96
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 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline?
The IUPAC name of 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline (CID 87964872) is 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline.
What is the SMILES notation for 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline?
The canonical SMILES for 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline is C[Si]1(CC[Si]2(C)C(c3cccc4ncccc34)=C(c3ccccc3)C(c3ccccc3)=C2c2cccc3ncccc23)C(c2cccc3ncccc23)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc2ncccc12.
What is the InChIKey of 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline?
The InChIKey is SNVIQJOOHCTNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4Si2/c1-77(69(57-31-15-39-61-53(57)35-19-43-73-61)65(49-23-7-3-8-24-49)66(50-25-9-4-10-26-50)70(77)58-32-16-40-62-54(58)36-20-44-74-62)47-48-78(2)71(59-33-17-41-63-55(59)37-21-45-75-63)67(51-27-11-5-12-28-51)68(52-29-13-6-14-30-52)72(78)60-34-18-42-64-56(60)38-22-46-76-64/h3-46H,47-48H2,1-2H3.
What are the key properties of 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline?
5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline has a molecular weight of 1031.42 g/mol, XLogP of 17.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-5-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-5-ylsilol-2-yl]quinoline is sourced from PubChem (CID 87964872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).