(4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene

C25H17N3O2 — CID 88837265

IUPAC(4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccccc2)c2c1-c1ccccc1C2c1ccccc1
InChIInChI=1S/C25H17N3O2/c29-28(30)22-16-15-21(27-26-18-11-5-2-6-12-18)25-23(17-9-3-1-4-10-17)19-13-7-8-14-20(19)24(22)25/h1-16,23H/b27-26+
InChIKeyCXBONBYEHLBDSF-CYYJNZCTSA-N
MW391.43 g/mol
LogP7.17
Rot. Bonds4

About (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene

(4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene (PubChem CID 88837265) has the molecular formula C25H17N3O2 and a molecular weight of 391.43 g/mol. Its IUPAC name is (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene.

Molecular Properties

Compound Name(4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene
PubChem CID88837265
Molecular FormulaC25H17N3O2
Molecular Weight391.43 g/mol
Exact Mass391.13
IUPAC Name(4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccccc2)c2c1-c1ccccc1C2c1ccccc1
InChIInChI=1S/C25H17N3O2/c29-28(30)22-16-15-21(27-26-18-11-5-2-6-12-18)25-23(17-9-3-1-4-10-17)19-13-7-8-14-20(19)24(22)25/h1-16,23H/b27-26+
InChIKeyCXBONBYEHLBDSF-CYYJNZCTSA-N
XLogP7.17
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene?
The IUPAC name of (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene (CID 88837265) is (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene.
What is the SMILES notation for (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene?
The canonical SMILES for (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene is O=[N+]([O-])c1ccc(/N=N/c2ccccc2)c2c1-c1ccccc1C2c1ccccc1.
What is the InChIKey of (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene?
The InChIKey is CXBONBYEHLBDSF-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H17N3O2/c29-28(30)22-16-15-21(27-26-18-11-5-2-6-12-18)25-23(17-9-3-1-4-10-17)19-13-7-8-14-20(19)24(22)25/h1-16,23H/b27-26+.
What are the key properties of (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene?
(4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene has a molecular weight of 391.43 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene is sourced from PubChem (CID 88837265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).