CID 22066365

C29H24N2OPS — CID 22066365

IUPAC—
SMILESCSc1nc(-c2ccccc2)[nH]c(=O)c1[P](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24N2OPS/c1-34-29-26(28(32)30-27(31-29)22-14-6-2-7-15-22)33(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3,(H,30,31,32)
InChIKeyQHQIGPZQHCJGBP-UHFFFAOYSA-N
MW479.57 g/mol
LogP4.78
Rot. Bonds6

About CID 22066365

CID 22066365 (PubChem CID 22066365) has the molecular formula C29H24N2OPS and a molecular weight of 479.57 g/mol.

Molecular Properties

Compound NameCID 22066365
PubChem CID22066365
Molecular FormulaC29H24N2OPS
Molecular Weight479.57 g/mol
Exact Mass479.13
IUPAC Name—
SMILESCSc1nc(-c2ccccc2)[nH]c(=O)c1[P](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24N2OPS/c1-34-29-26(28(32)30-27(31-29)22-14-6-2-7-15-22)33(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3,(H,30,31,32)
InChIKeyQHQIGPZQHCJGBP-UHFFFAOYSA-N
XLogP4.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22066365?
The IUPAC name of CID 22066365 (CID 22066365) is not available.
What is the SMILES notation for CID 22066365?
The canonical SMILES for CID 22066365 is CSc1nc(-c2ccccc2)[nH]c(=O)c1[P](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 22066365?
The InChIKey is QHQIGPZQHCJGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2OPS/c1-34-29-26(28(32)30-27(31-29)22-14-6-2-7-15-22)33(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3,(H,30,31,32).
What are the key properties of CID 22066365?
CID 22066365 has a molecular weight of 479.57 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22066365 is sourced from PubChem (CID 22066365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).