10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine

C45H32F2N2O2 — CID 139552900

IUPAC10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine
SMILESCC(C)c1c(-c2cccc(F)c2)c(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1-c1cccc(F)c1
InChIInChI=1S/C45H32F2N2O2/c1-28(2)43-44(29-13-11-15-31(46)25-29)37(48-33-17-3-7-21-39(33)50-40-22-8-4-18-34(40)48)27-38(45(43)30-14-12-16-32(47)26-30)49-35-19-5-9-23-41(35)51-42-24-10-6-20-36(42)49/h3-28H,1-2H3
InChIKeyVBUVQTJYELEKLH-UHFFFAOYSA-N
MW670.76 g/mol
LogP13.57
Rot. Bonds5

About 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine

10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine (PubChem CID 139552900) has the molecular formula C45H32F2N2O2 and a molecular weight of 670.76 g/mol. Its IUPAC name is 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine
PubChem CID139552900
Molecular FormulaC45H32F2N2O2
Molecular Weight670.76 g/mol
Exact Mass670.24
IUPAC Name10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine
SMILESCC(C)c1c(-c2cccc(F)c2)c(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1-c1cccc(F)c1
InChIInChI=1S/C45H32F2N2O2/c1-28(2)43-44(29-13-11-15-31(46)25-29)37(48-33-17-3-7-21-39(33)50-40-22-8-4-18-34(40)48)27-38(45(43)30-14-12-16-32(47)26-30)49-35-19-5-9-23-41(35)51-42-24-10-6-20-36(42)49/h3-28H,1-2H3
InChIKeyVBUVQTJYELEKLH-UHFFFAOYSA-N
XLogP13.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.76
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine?
The IUPAC name of 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine (CID 139552900) is 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine?
The canonical SMILES for 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine is CC(C)c1c(-c2cccc(F)c2)c(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1-c1cccc(F)c1.
What is the InChIKey of 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine?
The InChIKey is VBUVQTJYELEKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32F2N2O2/c1-28(2)43-44(29-13-11-15-31(46)25-29)37(48-33-17-3-7-21-39(33)50-40-22-8-4-18-34(40)48)27-38(45(43)30-14-12-16-32(47)26-30)49-35-19-5-9-23-41(35)51-42-24-10-6-20-36(42)49/h3-28H,1-2H3.
What are the key properties of 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine?
10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine has a molecular weight of 670.76 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,4-bis(3-fluorophenyl)-5-phenoxazin-10-yl-3-propan-2-ylphenyl]phenoxazine is sourced from PubChem (CID 139552900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).