CID 140690295

C43H26GeIrN5OS — CID 140690295

IUPAC—
SMILES[Ir].c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1
InChIInChI=1S/C43H26GeN5OS.Ir/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;
InChIKeyBDJJWMBRWFQPPJ-UHFFFAOYSA-N
MW925.61 g/mol
LogP9.36
Rot. Bonds5

About CID 140690295

CID 140690295 (PubChem CID 140690295) has the molecular formula C43H26GeIrN5OS and a molecular weight of 925.61 g/mol.

Molecular Properties

Compound NameCID 140690295
PubChem CID140690295
Molecular FormulaC43H26GeIrN5OS
Molecular Weight925.61 g/mol
Exact Mass927.07
IUPAC Name—
SMILES[Ir].c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1
InChIInChI=1S/C43H26GeN5OS.Ir/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;
InChIKeyBDJJWMBRWFQPPJ-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 ≤ 500925.61
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 140690295?
The IUPAC name of CID 140690295 (CID 140690295) is not available.
What is the SMILES notation for CID 140690295?
The canonical SMILES for CID 140690295 is [Ir].c1ccc([Ge](c2ccccc2)n2c3ccccc3c3sc4cc5c6ccccc6n(-c6coc7ccc(-c8ccccn8)nc67)c5nc4c32)cc1.
What is the InChIKey of CID 140690295?
The InChIKey is BDJJWMBRWFQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26GeN5OS.Ir/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 140690295?
CID 140690295 has a molecular weight of 925.61 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 140690295 is sourced from PubChem (CID 140690295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).