10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine

C43H28F2N2O2 — CID 139553095

IUPAC10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine
SMILESCc1c(N2c3ccccc3Oc3ccccc32)c(-c2ccccc2F)cc(-c2ccccc2F)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C43H28F2N2O2/c1-27-42(46-34-18-6-10-22-38(34)48-39-23-11-7-19-35(39)46)30(28-14-2-4-16-32(28)44)26-31(29-15-3-5-17-33(29)45)43(27)47-36-20-8-12-24-40(36)49-41-25-13-9-21-37(41)47/h2-26H,1H3
InChIKeyBYAMZAWISJIBSF-UHFFFAOYSA-N
MW642.71 g/mol
LogP12.76
Rot. Bonds4

About 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine

10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 139553095) has the molecular formula C43H28F2N2O2 and a molecular weight of 642.71 g/mol. Its IUPAC name is 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine
PubChem CID139553095
Molecular FormulaC43H28F2N2O2
Molecular Weight642.71 g/mol
Exact Mass642.21
IUPAC Name10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine
SMILESCc1c(N2c3ccccc3Oc3ccccc32)c(-c2ccccc2F)cc(-c2ccccc2F)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C43H28F2N2O2/c1-27-42(46-34-18-6-10-22-38(34)48-39-23-11-7-19-35(39)46)30(28-14-2-4-16-32(28)44)26-31(29-15-3-5-17-33(29)45)43(27)47-36-20-8-12-24-40(36)49-41-25-13-9-21-37(41)47/h2-26H,1H3
InChIKeyBYAMZAWISJIBSF-UHFFFAOYSA-N
XLogP12.76
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.71
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[2-tert-butyl-4,6-bis(2-fluorophenyl)-3-(phenoxazin-10-ylmethyl)phenyl]phenoxazine
CID 139553085
3-[5-(3-cyanophenyl)-3-methyl-2,4-di(phenoxazin-10-yl)phenyl]benzonitrile
CID 139553033
1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine
CID 170244430
10-[2-tert-butyl-4,6-bis(2-fluorophenyl)-3-phenothiazin-10-ylphenyl]phenothiazine
CID 139553087
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
CID 59573636
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
CID 154940540
14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 171732670
11-phenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140893612
3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile
CID 135273556
10-(4-fluorophenyl)phenoxazine
CID 141389969
10-(2,6-dichlorophenyl)phenoxazine
CID 126602381

Frequently Asked Questions

What is the IUPAC name of 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine (CID 139553095) is 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine is Cc1c(N2c3ccccc3Oc3ccccc32)c(-c2ccccc2F)cc(-c2ccccc2F)c1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is BYAMZAWISJIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F2N2O2/c1-27-42(46-34-18-6-10-22-38(34)48-39-23-11-7-19-35(39)46)30(28-14-2-4-16-32(28)44)26-31(29-15-3-5-17-33(29)45)43(27)47-36-20-8-12-24-40(36)49-41-25-13-9-21-37(41)47/h2-26H,1H3.
What are the key properties of 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine?
10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 642.71 g/mol, XLogP of 12.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 139553095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).