CID 173464509

H36N34 — CID 173464509

IUPAC—
SMILESNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNN(N)N
InChIInChI=1S/H36N34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(2)3/h4-33H,1-3H2
InChIKeyBWQOSLVGQFXLEL-UHFFFAOYSA-N
MW512.53 g/mol
LogP-16.95
Rot. Bonds30

About CID 173464509

CID 173464509 (PubChem CID 173464509) has the molecular formula H36N34 and a molecular weight of 512.53 g/mol.

Molecular Properties

Compound NameCID 173464509
PubChem CID173464509
Molecular FormulaH36N34
Molecular Weight512.53 g/mol
Exact Mass512.39
IUPAC Name—
SMILESNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNN(N)N
InChIInChI=1S/H36N34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(2)3/h4-33H,1-3H2
InChIKeyBWQOSLVGQFXLEL-UHFFFAOYSA-N
XLogP-16.95
TPSA442.20 Ų
H-Bond Donors33
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500512.53
LogP ≤ 5-16.95
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173464509?
The IUPAC name of CID 173464509 (CID 173464509) is not available.
What is the SMILES notation for CID 173464509?
The canonical SMILES for CID 173464509 is NNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNN(N)N.
What is the InChIKey of CID 173464509?
The InChIKey is BWQOSLVGQFXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/H36N34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(2)3/h4-33H,1-3H2.
What are the key properties of CID 173464509?
CID 173464509 has a molecular weight of 512.53 g/mol, XLogP of -16.95, 30 rotatable bonds, 33 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173464509 is sourced from PubChem (CID 173464509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).