10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine

C36H25NO — CID 155186108

IUPAC10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C36H25NO/c1-3-10-26(11-4-1)29-12-9-13-30(24-29)27-18-20-28(21-19-27)31-22-23-34-36(25-31)38-35-17-8-7-16-33(35)37(34)32-14-5-2-6-15-32/h1-25H
InChIKeyHLTHNXDWVONZJH-UHFFFAOYSA-N
MW487.60 g/mol
LogP10.26
Rot. Bonds4

About 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine

10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine (PubChem CID 155186108) has the molecular formula C36H25NO and a molecular weight of 487.60 g/mol. Its IUPAC name is 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
PubChem CID155186108
Molecular FormulaC36H25NO
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C36H25NO/c1-3-10-26(11-4-1)29-12-9-13-30(24-29)27-18-20-28(21-19-27)31-22-23-34-36(25-31)38-35-17-8-7-16-33(35)37(34)32-14-5-2-6-15-32/h1-25H
InChIKeyHLTHNXDWVONZJH-UHFFFAOYSA-N
XLogP10.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine (CID 155186108) is 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine is c1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine?
The InChIKey is HLTHNXDWVONZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO/c1-3-10-26(11-4-1)29-12-9-13-30(24-29)27-18-20-28(21-19-27)31-22-23-34-36(25-31)38-35-17-8-7-16-33(35)37(34)32-14-5-2-6-15-32/h1-25H.
What are the key properties of 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine?
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine has a molecular weight of 487.60 g/mol, XLogP of 10.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 155186108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).