6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline

C72H54N4Si2 — CID 87965679

IUPAC6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline
SMILESC[Si]1(CC[Si]2(C)C(c3ccc4ncccc4c3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccc3ncccc3c2)C(c2ccc3ncccc3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2ncccc2c1
InChIInChI=1S/C72H54N4Si2/c1-77(69(57-31-35-61-53(45-57)27-15-39-73-61)65(49-19-7-3-8-20-49)66(50-21-9-4-10-22-50)70(77)58-32-36-62-54(46-58)28-16-40-74-62)43-44-78(2)71(59-33-37-63-55(47-59)29-17-41-75-63)67(51-23-11-5-12-24-51)68(52-25-13-6-14-26-52)72(78)60-34-38-64-56(48-60)30-18-42-76-64/h3-42,45-48H,43-44H2,1-2H3
InChIKeyOXUYRPFUWUAPCM-UHFFFAOYSA-N
MW1031.42 g/mol
LogP17.96
Rot. Bonds11

About 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline

6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline (PubChem CID 87965679) has the molecular formula C72H54N4Si2 and a molecular weight of 1031.42 g/mol. Its IUPAC name is 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline.

Molecular Properties

Compound Name6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline
PubChem CID87965679
Molecular FormulaC72H54N4Si2
Molecular Weight1031.42 g/mol
Exact Mass1030.39
IUPAC Name6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline
SMILESC[Si]1(CC[Si]2(C)C(c3ccc4ncccc4c3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccc3ncccc3c2)C(c2ccc3ncccc3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2ncccc2c1
InChIInChI=1S/C72H54N4Si2/c1-77(69(57-31-35-61-53(45-57)27-15-39-73-61)65(49-19-7-3-8-20-49)66(50-21-9-4-10-22-50)70(77)58-32-36-62-54(46-58)28-16-40-74-62)43-44-78(2)71(59-33-37-63-55(47-59)29-17-41-75-63)67(51-23-11-5-12-24-51)68(52-25-13-6-14-26-52)72(78)60-34-38-64-56(48-60)30-18-42-76-64/h3-42,45-48H,43-44H2,1-2H3
InChIKeyOXUYRPFUWUAPCM-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 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline?
The IUPAC name of 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline (CID 87965679) is 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline.
What is the SMILES notation for 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline?
The canonical SMILES for 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline is C[Si]1(CC[Si]2(C)C(c3ccc4ncccc4c3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccc3ncccc3c2)C(c2ccc3ncccc3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2ncccc2c1.
What is the InChIKey of 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline?
The InChIKey is OXUYRPFUWUAPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4Si2/c1-77(69(57-31-35-61-53(45-57)27-15-39-73-61)65(49-19-7-3-8-20-49)66(50-21-9-4-10-22-50)70(77)58-32-36-62-54(46-58)28-16-40-74-62)43-44-78(2)71(59-33-37-63-55(47-59)29-17-41-75-63)67(51-23-11-5-12-24-51)68(52-25-13-6-14-26-52)72(78)60-34-38-64-56(48-60)30-18-42-76-64/h3-42,45-48H,43-44H2,1-2H3.
What are the key properties of 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline?
6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-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 6-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-di(quinolin-6-yl)silol-1-yl]ethyl]-3,4-diphenyl-5-quinolin-6-ylsilol-2-yl]quinoline is sourced from PubChem (CID 87965679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).