CID 140886117

C43H26CoGeN5OS — CID 140886117

IUPAC—
SMILES[Co].c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1
InChIInChI=1S/C43H26GeN5OS.Co/c1-3-13-27(14-4-1)44(28-15-5-2-6-16-28)49-35-21-10-8-18-30(35)42-41(49)40-38(51-42)25-31-29-17-7-9-20-34(29)48(43(31)47-40)36-26-50-37-23-22-33(46-39(36)37)32-19-11-12-24-45-32;/h1-26H;
InChIKeyXKXQSUSNETXFIT-UHFFFAOYSA-N
MW792.33 g/mol
LogP9.36
Rot. Bonds5

About CID 140886117

CID 140886117 (PubChem CID 140886117) has the molecular formula C43H26CoGeN5OS and a molecular weight of 792.33 g/mol.

Molecular Properties

Compound NameCID 140886117
PubChem CID140886117
Molecular FormulaC43H26CoGeN5OS
Molecular Weight792.33 g/mol
Exact Mass793.04
IUPAC Name—
SMILES[Co].c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1
InChIInChI=1S/C43H26GeN5OS.Co/c1-3-13-27(14-4-1)44(28-15-5-2-6-16-28)49-35-21-10-8-18-30(35)42-41(49)40-38(51-42)25-31-29-17-7-9-20-34(29)48(43(31)47-40)36-26-50-37-23-22-33(46-39(36)37)32-19-11-12-24-45-32;/h1-26H;
InChIKeyXKXQSUSNETXFIT-UHFFFAOYSA-N
XLogP9.36
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.33
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 140886117?
The IUPAC name of CID 140886117 (CID 140886117) is not available.
What is the SMILES notation for CID 140886117?
The canonical SMILES for CID 140886117 is [Co].c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1.
What is the InChIKey of CID 140886117?
The InChIKey is XKXQSUSNETXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26GeN5OS.Co/c1-3-13-27(14-4-1)44(28-15-5-2-6-16-28)49-35-21-10-8-18-30(35)42-41(49)40-38(51-42)25-31-29-17-7-9-20-34(29)48(43(31)47-40)36-26-50-37-23-22-33(46-39(36)37)32-19-11-12-24-45-32;/h1-26H;.
What are the key properties of CID 140886117?
CID 140886117 has a molecular weight of 792.33 g/mol, XLogP of 9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140886117 is sourced from PubChem (CID 140886117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).