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

C72H54N4Si2 — CID 54405160

IUPAC4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline
SMILESC[Si]1=C(c2ccnc3ccccc23)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2ccnc3ccccc23)C(c2ccccc2)=C(c2ccccc2)C(c2ccnc3ccccc23)=[Si]1C)c1ccnc2ccccc12
InChIInChI=1S/C72H54N4Si2/c1-77-69(55-39-45-73-61-35-19-15-31-53(55)61)65(49-23-7-3-8-24-49)67(51-27-11-5-12-28-51)71(77,59-41-47-75-63-37-21-17-33-57(59)63)43-44-72(60-42-48-76-64-38-22-18-34-58(60)64)68(52-29-13-6-14-30-52)66(50-25-9-4-10-26-50)70(78(72)2)56-40-46-74-62-36-20-16-32-54(56)62/h3-42,45-48H,43-44H2,1-2H3
InChIKeyVQEGVWWAOKJHRY-UHFFFAOYSA-N
MW1031.42 g/mol
LogP16.02
Rot. Bonds11

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

4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline (PubChem CID 54405160) has the molecular formula C72H54N4Si2 and a molecular weight of 1031.42 g/mol. Its IUPAC name is 4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline.

Molecular Properties

Compound Name4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline
PubChem CID54405160
Molecular FormulaC72H54N4Si2
Molecular Weight1031.42 g/mol
Exact Mass1030.39
IUPAC Name4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline
SMILESC[Si]1=C(c2ccnc3ccccc23)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2ccnc3ccccc23)C(c2ccccc2)=C(c2ccccc2)C(c2ccnc3ccccc23)=[Si]1C)c1ccnc2ccccc12
InChIInChI=1S/C72H54N4Si2/c1-77-69(55-39-45-73-61-35-19-15-31-53(55)61)65(49-23-7-3-8-24-49)67(51-27-11-5-12-28-51)71(77,59-41-47-75-63-37-21-17-33-57(59)63)43-44-72(60-42-48-76-64-38-22-18-34-58(60)64)68(52-29-13-6-14-30-52)66(50-25-9-4-10-26-50)70(78(72)2)56-40-46-74-62-36-20-16-32-54(56)62/h3-42,45-48H,43-44H2,1-2H3
InChIKeyVQEGVWWAOKJHRY-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 4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline?
The IUPAC name of 4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline (CID 54405160) is 4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline.
What is the SMILES notation for 4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline?
The canonical SMILES for 4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline is C[Si]1=C(c2ccnc3ccccc23)C(c2ccccc2)=C(c2ccccc2)C1(CCC1(c2ccnc3ccccc23)C(c2ccccc2)=C(c2ccccc2)C(c2ccnc3ccccc23)=[Si]1C)c1ccnc2ccccc12.
What is the InChIKey of 4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline?
The InChIKey is VQEGVWWAOKJHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4Si2/c1-77-69(55-39-45-73-61-35-19-15-31-53(55)61)65(49-23-7-3-8-24-49)67(51-27-11-5-12-28-51)71(77,59-41-47-75-63-37-21-17-33-57(59)63)43-44-72(60-42-48-76-64-38-22-18-34-58(60)64)68(52-29-13-6-14-30-52)66(50-25-9-4-10-26-50)70(78(72)2)56-40-46-74-62-36-20-16-32-54(56)62/h3-42,45-48H,43-44H2,1-2H3.
What are the key properties of 4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline?
4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-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 4-[1-methyl-2-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-4-yl)silol-2-yl]ethyl]-3,4-diphenyl-5-quinolin-4-ylsilol-2-yl]quinoline is sourced from PubChem (CID 54405160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).