11-diazobenzo[a]fluorene

C17H10N2 — CID 91374054

IUPAC11-diazobenzo[a]fluorene
SMILES[N-]=[N+]=C1c2ccccc2-c2ccc3ccccc3c21
InChIInChI=1S/C17H10N2/c18-19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)17/h1-10H
InChIKeyLBLBDDHICCZKRZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.89
Rot. Bonds

About 11-diazobenzo[a]fluorene

11-diazobenzo[a]fluorene (PubChem CID 91374054) has the molecular formula C17H10N2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 11-diazobenzo[a]fluorene.

Molecular Properties

Compound Name11-diazobenzo[a]fluorene
PubChem CID91374054
Molecular FormulaC17H10N2
Molecular Weight242.28 g/mol
Exact Mass242.08
IUPAC Name11-diazobenzo[a]fluorene
SMILES[N-]=[N+]=C1c2ccccc2-c2ccc3ccccc3c21
InChIInChI=1S/C17H10N2/c18-19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)17/h1-10H
InChIKeyLBLBDDHICCZKRZ-UHFFFAOYSA-N
XLogP3.89
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.89
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-diazobenzo[a]fluorene?
The IUPAC name of 11-diazobenzo[a]fluorene (CID 91374054) is 11-diazobenzo[a]fluorene.
What is the SMILES notation for 11-diazobenzo[a]fluorene?
The canonical SMILES for 11-diazobenzo[a]fluorene is [N-]=[N+]=C1c2ccccc2-c2ccc3ccccc3c21.
What is the InChIKey of 11-diazobenzo[a]fluorene?
The InChIKey is LBLBDDHICCZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2/c18-19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)17/h1-10H.
What are the key properties of 11-diazobenzo[a]fluorene?
11-diazobenzo[a]fluorene has a molecular weight of 242.28 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-diazobenzo[a]fluorene is sourced from PubChem (CID 91374054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).