9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine

C23H20F2N2O — CID 90181998

IUPAC9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine
SMILESC/N=c1\cc2oc3cc(NC)c(C)cc3c(-c3c(F)cccc3F)c-2cc1C
InChIInChI=1S/C23H20F2N2O/c1-12-8-14-20(10-18(12)26-3)28-21-11-19(27-4)13(2)9-15(21)22(14)23-16(24)6-5-7-17(23)25/h5-11,26H,1-4H3/b27-19+
InChIKeyPVHVOMWYRSJXHC-ZXVVBBHZSA-N
MW378.42 g/mol
LogP5.67
Rot. Bonds2

About 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine

9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine (PubChem CID 90181998) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine.

Molecular Properties

Compound Name9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine
PubChem CID90181998
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine
SMILESC/N=c1\cc2oc3cc(NC)c(C)cc3c(-c3c(F)cccc3F)c-2cc1C
InChIInChI=1S/C23H20F2N2O/c1-12-8-14-20(10-18(12)26-3)28-21-11-19(27-4)13(2)9-15(21)22(14)23-16(24)6-5-7-17(23)25/h5-11,26H,1-4H3/b27-19+
InChIKeyPVHVOMWYRSJXHC-ZXVVBBHZSA-N
XLogP5.67
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine?
The IUPAC name of 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine (CID 90181998) is 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine.
What is the SMILES notation for 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine?
The canonical SMILES for 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine is C/N=c1\cc2oc3cc(NC)c(C)cc3c(-c3c(F)cccc3F)c-2cc1C.
What is the InChIKey of 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine?
The InChIKey is PVHVOMWYRSJXHC-ZXVVBBHZSA-N. The full InChI is InChI=1S/C23H20F2N2O/c1-12-8-14-20(10-18(12)26-3)28-21-11-19(27-4)13(2)9-15(21)22(14)23-16(24)6-5-7-17(23)25/h5-11,26H,1-4H3/b27-19+.
What are the key properties of 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine?
9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine has a molecular weight of 378.42 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-difluorophenyl)-N,2,7-trimethyl-6-methyliminoxanthen-3-amine is sourced from PubChem (CID 90181998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).