CID 122382059

C80H56O4Si4 — CID 122382059

IUPAC—
SMILESc1ccc(C2=C(c3ccccc3)[Si]3(O[Si]4(O[Si]5(O[Si]6(O3)c3ccccc3-c3ccccc36)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C5c3ccccc3)c3ccccc3-c3ccccc34)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C80H56O4Si4/c1-9-33-57(34-10-1)73-74(58-35-11-2-12-36-58)78(62-43-19-6-20-44-62)87(77(73)61-41-17-5-18-42-61)81-85(69-53-29-25-49-65(69)66-50-26-30-54-70(66)85)83-88(84-86(82-87)71-55-31-27-51-67(71)68-52-28-32-56-72(68)86)79(63-45-21-7-22-46-63)75(59-37-13-3-14-38-59)76(60-39-15-4-16-40-60)80(88)64-47-23-8-24-48-64/h1-56H
InChIKeyDYUXDVBUWWGULK-UHFFFAOYSA-N
MW1193.67 g/mol
LogP16.05
Rot. Bonds8

About CID 122382059

CID 122382059 (PubChem CID 122382059) has the molecular formula C80H56O4Si4 and a molecular weight of 1193.67 g/mol.

Molecular Properties

Compound NameCID 122382059
PubChem CID122382059
Molecular FormulaC80H56O4Si4
Molecular Weight1193.67 g/mol
Exact Mass1192.33
IUPAC Name—
SMILESc1ccc(C2=C(c3ccccc3)[Si]3(O[Si]4(O[Si]5(O[Si]6(O3)c3ccccc3-c3ccccc36)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C5c3ccccc3)c3ccccc3-c3ccccc34)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C80H56O4Si4/c1-9-33-57(34-10-1)73-74(58-35-11-2-12-36-58)78(62-43-19-6-20-44-62)87(77(73)61-41-17-5-18-42-61)81-85(69-53-29-25-49-65(69)66-50-26-30-54-70(66)85)83-88(84-86(82-87)71-55-31-27-51-67(71)68-52-28-32-56-72(68)86)79(63-45-21-7-22-46-63)75(59-37-13-3-14-38-59)76(60-39-15-4-16-40-60)80(88)64-47-23-8-24-48-64/h1-56H
InChIKeyDYUXDVBUWWGULK-UHFFFAOYSA-N
XLogP16.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.67
LogP ≤ 516.05
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 CID 122382059?
The IUPAC name of CID 122382059 (CID 122382059) is not available.
What is the SMILES notation for CID 122382059?
The canonical SMILES for CID 122382059 is c1ccc(C2=C(c3ccccc3)[Si]3(O[Si]4(O[Si]5(O[Si]6(O3)c3ccccc3-c3ccccc36)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C5c3ccccc3)c3ccccc3-c3ccccc34)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of CID 122382059?
The InChIKey is DYUXDVBUWWGULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56O4Si4/c1-9-33-57(34-10-1)73-74(58-35-11-2-12-36-58)78(62-43-19-6-20-44-62)87(77(73)61-41-17-5-18-42-61)81-85(69-53-29-25-49-65(69)66-50-26-30-54-70(66)85)83-88(84-86(82-87)71-55-31-27-51-67(71)68-52-28-32-56-72(68)86)79(63-45-21-7-22-46-63)75(59-37-13-3-14-38-59)76(60-39-15-4-16-40-60)80(88)64-47-23-8-24-48-64/h1-56H.
What are the key properties of CID 122382059?
CID 122382059 has a molecular weight of 1193.67 g/mol, XLogP of 16.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122382059 is sourced from PubChem (CID 122382059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).