CID 140690720

C43H26GeN5ORhS — CID 140690720

IUPAC—
SMILES[Rh].c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1
InChIInChI=1S/C43H26GeN5OS.Rh/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;
InChIKeyUHNPOIALVSKZRI-UHFFFAOYSA-N
MW836.30 g/mol
LogP9.36
Rot. Bonds5

About CID 140690720

CID 140690720 (PubChem CID 140690720) has the molecular formula C43H26GeN5ORhS and a molecular weight of 836.30 g/mol.

Molecular Properties

Compound NameCID 140690720
PubChem CID140690720
Molecular FormulaC43H26GeN5ORhS
Molecular Weight836.30 g/mol
Exact Mass837.01
IUPAC Name—
SMILES[Rh].c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1
InChIInChI=1S/C43H26GeN5OS.Rh/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;
InChIKeyUHNPOIALVSKZRI-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 ≤ 500836.30
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 140690720?
The IUPAC name of CID 140690720 (CID 140690720) is not available.
What is the SMILES notation for CID 140690720?
The canonical SMILES for CID 140690720 is [Rh].c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1.
What is the InChIKey of CID 140690720?
The InChIKey is UHNPOIALVSKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26GeN5OS.Rh/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 140690720?
CID 140690720 has a molecular weight of 836.30 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 140690720 is sourced from PubChem (CID 140690720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).