9-azido-9-(4-methylphenyl)fluorene

C20H15N3 — CID 170607115

IUPAC9-azido-9-(4-methylphenyl)fluorene
SMILESCc1ccc(C2(N=[N+]=[N-])c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H15N3/c1-14-10-12-15(13-11-14)20(22-23-21)18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3
InChIKeyDVZVJQCVAPDVLP-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.58
Rot. Bonds2

About 9-azido-9-(4-methylphenyl)fluorene

9-azido-9-(4-methylphenyl)fluorene (PubChem CID 170607115) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 9-azido-9-(4-methylphenyl)fluorene.

Molecular Properties

Compound Name9-azido-9-(4-methylphenyl)fluorene
PubChem CID170607115
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name9-azido-9-(4-methylphenyl)fluorene
SMILESCc1ccc(C2(N=[N+]=[N-])c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H15N3/c1-14-10-12-15(13-11-14)20(22-23-21)18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3
InChIKeyDVZVJQCVAPDVLP-UHFFFAOYSA-N
XLogP5.58
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-azido-9-(4-methylphenyl)fluorene?
The IUPAC name of 9-azido-9-(4-methylphenyl)fluorene (CID 170607115) is 9-azido-9-(4-methylphenyl)fluorene.
What is the SMILES notation for 9-azido-9-(4-methylphenyl)fluorene?
The canonical SMILES for 9-azido-9-(4-methylphenyl)fluorene is Cc1ccc(C2(N=[N+]=[N-])c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-azido-9-(4-methylphenyl)fluorene?
The InChIKey is DVZVJQCVAPDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-14-10-12-15(13-11-14)20(22-23-21)18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3.
What are the key properties of 9-azido-9-(4-methylphenyl)fluorene?
9-azido-9-(4-methylphenyl)fluorene has a molecular weight of 297.36 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azido-9-(4-methylphenyl)fluorene is sourced from PubChem (CID 170607115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).