CID 102325540

C23H10N3-3 — CID 102325540

IUPAC—
SMILES[c-]1cccc2cc3cc4cc5cc6cccnc6[c-]c5nc4[c-]c3nc12
InChIInChI=1S/C23H10N3/c1-2-6-19-14(4-1)8-16-10-18-11-17-9-15-5-3-7-24-20(15)12-21(17)26-23(18)13-22(16)25-19/h1-5,7-11H/q-3
InChIKeyWWRUQWPQBAWSGS-UHFFFAOYSA-N
MW328.35 g/mol
LogP5.04
Rot. Bonds

About CID 102325540

CID 102325540 (PubChem CID 102325540) has the molecular formula C23H10N3-3 and a molecular weight of 328.35 g/mol.

Molecular Properties

Compound NameCID 102325540
PubChem CID102325540
Molecular FormulaC23H10N3-3
Molecular Weight328.35 g/mol
Exact Mass328.09
IUPAC Name—
SMILES[c-]1cccc2cc3cc4cc5cc6cccnc6[c-]c5nc4[c-]c3nc12
InChIInChI=1S/C23H10N3/c1-2-6-19-14(4-1)8-16-10-18-11-17-9-15-5-3-7-24-20(15)12-21(17)26-23(18)13-22(16)25-19/h1-5,7-11H/q-3
InChIKeyWWRUQWPQBAWSGS-UHFFFAOYSA-N
XLogP5.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102325540?
The IUPAC name of CID 102325540 (CID 102325540) is not available.
What is the SMILES notation for CID 102325540?
The canonical SMILES for CID 102325540 is [c-]1cccc2cc3cc4cc5cc6cccnc6[c-]c5nc4[c-]c3nc12.
What is the InChIKey of CID 102325540?
The InChIKey is WWRUQWPQBAWSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H10N3/c1-2-6-19-14(4-1)8-16-10-18-11-17-9-15-5-3-7-24-20(15)12-21(17)26-23(18)13-22(16)25-19/h1-5,7-11H/q-3.
What are the key properties of CID 102325540?
CID 102325540 has a molecular weight of 328.35 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102325540 is sourced from PubChem (CID 102325540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).