9,9-bis(azidomethyl)-2,7-dimethylfluorene

C17H16N6 — CID 118552963

IUPAC9,9-bis(azidomethyl)-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(CN=[N+]=[N-])(CN=[N+]=[N-])c1cc(C)ccc1-2
InChIInChI=1S/C17H16N6/c1-11-3-5-13-14-6-4-12(2)8-16(14)17(9-20-22-18,10-21-23-19)15(13)7-11/h3-8H,9-10H2,1-2H3
InChIKeyTUJIKTCMIMMFDE-UHFFFAOYSA-N
MW304.36 g/mol
LogP5.19
Rot. Bonds4

About 9,9-bis(azidomethyl)-2,7-dimethylfluorene

9,9-bis(azidomethyl)-2,7-dimethylfluorene (PubChem CID 118552963) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 9,9-bis(azidomethyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis(azidomethyl)-2,7-dimethylfluorene
PubChem CID118552963
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name9,9-bis(azidomethyl)-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(CN=[N+]=[N-])(CN=[N+]=[N-])c1cc(C)ccc1-2
InChIInChI=1S/C17H16N6/c1-11-3-5-13-14-6-4-12(2)8-16(14)17(9-20-22-18,10-21-23-19)15(13)7-11/h3-8H,9-10H2,1-2H3
InChIKeyTUJIKTCMIMMFDE-UHFFFAOYSA-N
XLogP5.19
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9,9-bis(azidomethyl)-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis(azidomethyl)-2,7-dimethylfluorene (CID 118552963) is 9,9-bis(azidomethyl)-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis(azidomethyl)-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis(azidomethyl)-2,7-dimethylfluorene is Cc1ccc2c(c1)C(CN=[N+]=[N-])(CN=[N+]=[N-])c1cc(C)ccc1-2.
What is the InChIKey of 9,9-bis(azidomethyl)-2,7-dimethylfluorene?
The InChIKey is TUJIKTCMIMMFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-11-3-5-13-14-6-4-12(2)8-16(14)17(9-20-22-18,10-21-23-19)15(13)7-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 9,9-bis(azidomethyl)-2,7-dimethylfluorene?
9,9-bis(azidomethyl)-2,7-dimethylfluorene has a molecular weight of 304.36 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(azidomethyl)-2,7-dimethylfluorene is sourced from PubChem (CID 118552963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).