3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine

C43H28F3NO — CID 164665377

IUPAC3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine
SMILESFC(F)(F)c1ccc(N2c3ccc(-c4ccc(-c5ccccc5)cc4)cc3Oc3cc(-c4ccc(-c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C43H28F3NO/c44-43(45,46)37-21-23-38(24-22-37)47-39-25-19-35(33-15-11-31(12-16-33)29-7-3-1-4-8-29)27-41(39)48-42-28-36(20-26-40(42)47)34-17-13-32(14-18-34)30-9-5-2-6-10-30/h1-28H
InChIKeyUKVHWDFEXQIFSH-UHFFFAOYSA-N
MW631.70 g/mol
LogP12.95
Rot. Bonds5

About 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine

3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine (PubChem CID 164665377) has the molecular formula C43H28F3NO and a molecular weight of 631.70 g/mol. Its IUPAC name is 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine.

Molecular Properties

Compound Name3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine
PubChem CID164665377
Molecular FormulaC43H28F3NO
Molecular Weight631.70 g/mol
Exact Mass631.21
IUPAC Name3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine
SMILESFC(F)(F)c1ccc(N2c3ccc(-c4ccc(-c5ccccc5)cc4)cc3Oc3cc(-c4ccc(-c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C43H28F3NO/c44-43(45,46)37-21-23-38(24-22-37)47-39-25-19-35(33-15-11-31(12-16-33)29-7-3-1-4-8-29)27-41(39)48-42-28-36(20-26-40(42)47)34-17-13-32(14-18-34)30-9-5-2-6-10-30/h1-28H
InChIKeyUKVHWDFEXQIFSH-UHFFFAOYSA-N
XLogP12.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.70
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine?
The IUPAC name of 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine (CID 164665377) is 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine.
What is the SMILES notation for 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine?
The canonical SMILES for 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine is FC(F)(F)c1ccc(N2c3ccc(-c4ccc(-c5ccccc5)cc4)cc3Oc3cc(-c4ccc(-c5ccccc5)cc4)ccc32)cc1.
What is the InChIKey of 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine?
The InChIKey is UKVHWDFEXQIFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F3NO/c44-43(45,46)37-21-23-38(24-22-37)47-39-25-19-35(33-15-11-31(12-16-33)29-7-3-1-4-8-29)27-41(39)48-42-28-36(20-26-40(42)47)34-17-13-32(14-18-34)30-9-5-2-6-10-30/h1-28H.
What are the key properties of 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine?
3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine has a molecular weight of 631.70 g/mol, XLogP of 12.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-phenylphenyl)-10-[4-(trifluoromethyl)phenyl]phenoxazine is sourced from PubChem (CID 164665377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).