10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine

C50H36F6N2O2 — CID 147456590

IUPAC10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine
SMILESFC(F)(F)c1ccccc1-c1c(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c(-c2ccccc2C(F)(F)F)c1C1CCCCC1
InChIInChI=1S/C50H36F6N2O2/c51-49(52,53)34-20-6-4-18-32(34)47-40(57-36-22-8-12-26-42(36)59-43-27-13-9-23-37(43)57)30-41(58-38-24-10-14-28-44(38)60-45-29-15-11-25-39(45)58)48(46(47)31-16-2-1-3-17-31)33-19-5-7-21-35(33)50(54,55)56/h4-15,18-31H,1-3,16-17H2
InChIKeyDZCJEAXPOGRLCV-UHFFFAOYSA-N
MW810.84 g/mol
LogP16.26
Rot. Bonds5

About 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine

10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine (PubChem CID 147456590) has the molecular formula C50H36F6N2O2 and a molecular weight of 810.84 g/mol. Its IUPAC name is 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine
PubChem CID147456590
Molecular FormulaC50H36F6N2O2
Molecular Weight810.84 g/mol
Exact Mass810.27
IUPAC Name10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine
SMILESFC(F)(F)c1ccccc1-c1c(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c(-c2ccccc2C(F)(F)F)c1C1CCCCC1
InChIInChI=1S/C50H36F6N2O2/c51-49(52,53)34-20-6-4-18-32(34)47-40(57-36-22-8-12-26-42(36)59-43-27-13-9-23-37(43)57)30-41(58-38-24-10-14-28-44(38)60-45-29-15-11-25-39(45)58)48(46(47)31-16-2-1-3-17-31)33-19-5-7-21-35(33)50(54,55)56/h4-15,18-31H,1-3,16-17H2
InChIKeyDZCJEAXPOGRLCV-UHFFFAOYSA-N
XLogP16.26
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.84
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine (CID 147456590) is 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine is FC(F)(F)c1ccccc1-c1c(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c(-c2ccccc2C(F)(F)F)c1C1CCCCC1.
What is the InChIKey of 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine?
The InChIKey is DZCJEAXPOGRLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36F6N2O2/c51-49(52,53)34-20-6-4-18-32(34)47-40(57-36-22-8-12-26-42(36)59-43-27-13-9-23-37(43)57)30-41(58-38-24-10-14-28-44(38)60-45-29-15-11-25-39(45)58)48(46(47)31-16-2-1-3-17-31)33-19-5-7-21-35(33)50(54,55)56/h4-15,18-31H,1-3,16-17H2.
What are the key properties of 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine?
10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine has a molecular weight of 810.84 g/mol, XLogP of 16.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-cyclohexyl-5-phenoxazin-10-yl-2,4-bis[2-(trifluoromethyl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 147456590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).