10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine

C45H43NO — CID 58251166

IUPAC10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine
SMILESCCCc1ccc(-c2cc(N3c4ccccc4Oc4ccccc43)cc(-c3ccc(CCC)cc3)c2-c2ccc(CCC)cc2)cc1
InChIInChI=1S/C45H43NO/c1-4-11-32-18-24-35(25-19-32)39-30-38(46-41-14-7-9-16-43(41)47-44-17-10-8-15-42(44)46)31-40(36-26-20-33(12-5-2)21-27-36)45(39)37-28-22-34(13-6-3)23-29-37/h7-10,14-31H,4-6,11-13H2,1-3H3
InChIKeyUGRGIKDSLACFIU-UHFFFAOYSA-N
MW613.85 g/mol
LogP13.12
Rot. Bonds10

About 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine

10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine (PubChem CID 58251166) has the molecular formula C45H43NO and a molecular weight of 613.85 g/mol. Its IUPAC name is 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine
PubChem CID58251166
Molecular FormulaC45H43NO
Molecular Weight613.85 g/mol
Exact Mass613.33
IUPAC Name10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine
SMILESCCCc1ccc(-c2cc(N3c4ccccc4Oc4ccccc43)cc(-c3ccc(CCC)cc3)c2-c2ccc(CCC)cc2)cc1
InChIInChI=1S/C45H43NO/c1-4-11-32-18-24-35(25-19-32)39-30-38(46-41-14-7-9-16-43(41)47-44-17-10-8-15-42(44)46)31-40(36-26-20-33(12-5-2)21-27-36)45(39)37-28-22-34(13-6-3)23-29-37/h7-10,14-31H,4-6,11-13H2,1-3H3
InChIKeyUGRGIKDSLACFIU-UHFFFAOYSA-N
XLogP13.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.85
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine (CID 58251166) is 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine is CCCc1ccc(-c2cc(N3c4ccccc4Oc4ccccc43)cc(-c3ccc(CCC)cc3)c2-c2ccc(CCC)cc2)cc1.
What is the InChIKey of 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine?
The InChIKey is UGRGIKDSLACFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H43NO/c1-4-11-32-18-24-35(25-19-32)39-30-38(46-41-14-7-9-16-43(41)47-44-17-10-8-15-42(44)46)31-40(36-26-20-33(12-5-2)21-27-36)45(39)37-28-22-34(13-6-3)23-29-37/h7-10,14-31H,4-6,11-13H2,1-3H3.
What are the key properties of 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine?
10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine has a molecular weight of 613.85 g/mol, XLogP of 13.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 58251166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).