CID 101480674

C23H17N2O — CID 101480674

IUPAC—
SMILES[O]N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C23H17N2O/c26-25(22-14-11-20(12-15-22)18-7-3-1-4-8-18)23-16-13-21(17-24-23)19-9-5-2-6-10-19/h1-17H
InChIKeyDYTPSDQASNHBQM-UHFFFAOYSA-N
MW337.40 g/mol
LogP5.90
Rot. Bonds4

About CID 101480674

CID 101480674 (PubChem CID 101480674) has the molecular formula C23H17N2O and a molecular weight of 337.40 g/mol.

Molecular Properties

Compound NameCID 101480674
PubChem CID101480674
Molecular FormulaC23H17N2O
Molecular Weight337.40 g/mol
Exact Mass337.13
IUPAC Name—
SMILES[O]N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C23H17N2O/c26-25(22-14-11-20(12-15-22)18-7-3-1-4-8-18)23-16-13-21(17-24-23)19-9-5-2-6-10-19/h1-17H
InChIKeyDYTPSDQASNHBQM-UHFFFAOYSA-N
XLogP5.90
TPSA36.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.40
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101480674?
The IUPAC name of CID 101480674 (CID 101480674) is not available.
What is the SMILES notation for CID 101480674?
The canonical SMILES for CID 101480674 is [O]N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of CID 101480674?
The InChIKey is DYTPSDQASNHBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N2O/c26-25(22-14-11-20(12-15-22)18-7-3-1-4-8-18)23-16-13-21(17-24-23)19-9-5-2-6-10-19/h1-17H.
What are the key properties of CID 101480674?
CID 101480674 has a molecular weight of 337.40 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101480674 is sourced from PubChem (CID 101480674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).