CID 132919149

C32H23N6+ — CID 132919149

IUPAC—
SMILES[C+]1=C2C(=NC(c3ccccc3)=NN2c2ccccc2)C=C2N=C(c3ccccc3)NN(c3ccccc3)C12
InChIInChI=1S/C32H23N6/c1-5-13-23(14-6-1)31-33-27-21-28-30(22-29(27)37(35-31)25-17-9-3-10-18-25)38(26-19-11-4-12-20-26)36-32(34-28)24-15-7-2-8-16-24/h1-21,29H,(H,33,35)/q+1
InChIKeyGWQUGGKLOKGDIR-UHFFFAOYSA-N
MW491.58 g/mol
LogP5.73
Rot. Bonds4

About CID 132919149

CID 132919149 (PubChem CID 132919149) has the molecular formula C32H23N6+ and a molecular weight of 491.58 g/mol.

Molecular Properties

Compound NameCID 132919149
PubChem CID132919149
Molecular FormulaC32H23N6+
Molecular Weight491.58 g/mol
Exact Mass491.20
IUPAC Name—
SMILES[C+]1=C2C(=NC(c3ccccc3)=NN2c2ccccc2)C=C2N=C(c3ccccc3)NN(c3ccccc3)C12
InChIInChI=1S/C32H23N6/c1-5-13-23(14-6-1)31-33-27-21-28-30(22-29(27)37(35-31)25-17-9-3-10-18-25)38(26-19-11-4-12-20-26)36-32(34-28)24-15-7-2-8-16-24/h1-21,29H,(H,33,35)/q+1
InChIKeyGWQUGGKLOKGDIR-UHFFFAOYSA-N
XLogP5.73
TPSA55.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.58
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 132919149?
The IUPAC name of CID 132919149 (CID 132919149) is not available.
What is the SMILES notation for CID 132919149?
The canonical SMILES for CID 132919149 is [C+]1=C2C(=NC(c3ccccc3)=NN2c2ccccc2)C=C2N=C(c3ccccc3)NN(c3ccccc3)C12.
What is the InChIKey of CID 132919149?
The InChIKey is GWQUGGKLOKGDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N6/c1-5-13-23(14-6-1)31-33-27-21-28-30(22-29(27)37(35-31)25-17-9-3-10-18-25)38(26-19-11-4-12-20-26)36-32(34-28)24-15-7-2-8-16-24/h1-21,29H,(H,33,35)/q+1.
What are the key properties of CID 132919149?
CID 132919149 has a molecular weight of 491.58 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132919149 is sourced from PubChem (CID 132919149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).