1-(diazomethyl)pyrene

C34H20N4 — CID 161167887

IUPAC1-(diazomethyl)pyrene
SMILES[N-]=[N+]=Cc1ccc2ccc3cccc4ccc1c2c34.[N-]=[N+]=Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/2C17H10N2/c2*18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h2*1-10H
InChIKeyUQUHUBURLLGKIV-UHFFFAOYSA-N
MW484.56 g/mol
LogP8.47
Rot. Bonds2

About 1-(diazomethyl)pyrene

1-(diazomethyl)pyrene (PubChem CID 161167887) has the molecular formula C34H20N4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-(diazomethyl)pyrene.

Molecular Properties

Compound Name1-(diazomethyl)pyrene
PubChem CID161167887
Molecular FormulaC34H20N4
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC Name1-(diazomethyl)pyrene
SMILES[N-]=[N+]=Cc1ccc2ccc3cccc4ccc1c2c34.[N-]=[N+]=Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/2C17H10N2/c2*18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h2*1-10H
InChIKeyUQUHUBURLLGKIV-UHFFFAOYSA-N
XLogP8.47
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(diazomethyl)pyrene?
The IUPAC name of 1-(diazomethyl)pyrene (CID 161167887) is 1-(diazomethyl)pyrene.
What is the SMILES notation for 1-(diazomethyl)pyrene?
The canonical SMILES for 1-(diazomethyl)pyrene is [N-]=[N+]=Cc1ccc2ccc3cccc4ccc1c2c34.[N-]=[N+]=Cc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 1-(diazomethyl)pyrene?
The InChIKey is UQUHUBURLLGKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H10N2/c2*18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h2*1-10H.
What are the key properties of 1-(diazomethyl)pyrene?
1-(diazomethyl)pyrene has a molecular weight of 484.56 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazomethyl)pyrene is sourced from PubChem (CID 161167887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).