CID 175727431

C24H22N2O3Sn — CID 175727431

IUPAC—
SMILESCN(C)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1.[Sn]
InChIInChI=1S/C24H22N2O3.Sn/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;/h5-14H,1-4H3;
InChIKeySOYXBCWCSCUQRZ-UHFFFAOYSA-N
MW505.16 g/mol
LogP2.29
Rot. Bonds3

About CID 175727431

CID 175727431 (PubChem CID 175727431) has the molecular formula C24H22N2O3Sn and a molecular weight of 505.16 g/mol.

Molecular Properties

Compound NameCID 175727431
PubChem CID175727431
Molecular FormulaC24H22N2O3Sn
Molecular Weight505.16 g/mol
Exact Mass506.07
IUPAC Name—
SMILESCN(C)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1.[Sn]
InChIInChI=1S/C24H22N2O3.Sn/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;/h5-14H,1-4H3;
InChIKeySOYXBCWCSCUQRZ-UHFFFAOYSA-N
XLogP2.29
TPSA59.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175727431?
The IUPAC name of CID 175727431 (CID 175727431) is not available.
What is the SMILES notation for CID 175727431?
The canonical SMILES for CID 175727431 is CN(C)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1.[Sn].
What is the InChIKey of CID 175727431?
The InChIKey is SOYXBCWCSCUQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3.Sn/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;/h5-14H,1-4H3;.
What are the key properties of CID 175727431?
CID 175727431 has a molecular weight of 505.16 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175727431 is sourced from PubChem (CID 175727431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).