9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene

C27H22NO3- — CID 163635129

IUPAC9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene
SMILESCON([O-])Oc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22NO3/c1-19-11-13-20(14-12-19)27(21-15-17-22(18-16-21)31-28(29)30-2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3/q-1
InChIKeyWBPSMODUSORRLC-UHFFFAOYSA-N
MW408.48 g/mol
LogP6.01
Rot. Bonds5

About 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene

9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene (PubChem CID 163635129) has the molecular formula C27H22NO3- and a molecular weight of 408.48 g/mol. Its IUPAC name is 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene.

Molecular Properties

Compound Name9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene
PubChem CID163635129
Molecular FormulaC27H22NO3-
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC Name9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene
SMILESCON([O-])Oc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22NO3/c1-19-11-13-20(14-12-19)27(21-15-17-22(18-16-21)31-28(29)30-2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3/q-1
InChIKeyWBPSMODUSORRLC-UHFFFAOYSA-N
XLogP6.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene?
The IUPAC name of 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene (CID 163635129) is 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene.
What is the SMILES notation for 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene?
The canonical SMILES for 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene is CON([O-])Oc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene?
The InChIKey is WBPSMODUSORRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22NO3/c1-19-11-13-20(14-12-19)27(21-15-17-22(18-16-21)31-28(29)30-2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3/q-1.
What are the key properties of 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene?
9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene has a molecular weight of 408.48 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene is sourced from PubChem (CID 163635129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).