CID 71712395

C26H14N2S — CID 71712395

IUPAC—
SMILESC(#Cc1ccc(C#Cc2cccc([C]3[CH][CH][CH][CH]3)c2)c2nsnc12)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C26H14N2S/c1-2-7-19(6-1)12-14-22-16-17-23(26-25(22)27-29-28-26)15-13-20-8-5-11-24(18-20)21-9-3-4-10-21/h1-11,16-18H
InChIKeyPADCCZRULUXHHR-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.60
Rot. Bonds1

About CID 71712395

CID 71712395 (PubChem CID 71712395) has the molecular formula C26H14N2S and a molecular weight of 386.48 g/mol.

Molecular Properties

Compound NameCID 71712395
PubChem CID71712395
Molecular FormulaC26H14N2S
Molecular Weight386.48 g/mol
Exact Mass386.09
IUPAC Name—
SMILESC(#Cc1ccc(C#Cc2cccc([C]3[CH][CH][CH][CH]3)c2)c2nsnc12)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C26H14N2S/c1-2-7-19(6-1)12-14-22-16-17-23(26-25(22)27-29-28-26)15-13-20-8-5-11-24(18-20)21-9-3-4-10-21/h1-11,16-18H
InChIKeyPADCCZRULUXHHR-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 71712395?
The IUPAC name of CID 71712395 (CID 71712395) is not available.
What is the SMILES notation for CID 71712395?
The canonical SMILES for CID 71712395 is C(#Cc1ccc(C#Cc2cccc([C]3[CH][CH][CH][CH]3)c2)c2nsnc12)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 71712395?
The InChIKey is PADCCZRULUXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2S/c1-2-7-19(6-1)12-14-22-16-17-23(26-25(22)27-29-28-26)15-13-20-8-5-11-24(18-20)21-9-3-4-10-21/h1-11,16-18H.
What are the key properties of CID 71712395?
CID 71712395 has a molecular weight of 386.48 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71712395 is sourced from PubChem (CID 71712395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).