10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine

C38H25NO — CID 58251173

IUPAC10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C38H25NO/c1-3-11-28-21-30(19-17-26(28)9-1)32-23-33(31-20-18-27-10-2-4-12-29(27)22-31)25-34(24-32)39-35-13-5-7-15-37(35)40-38-16-8-6-14-36(38)39/h1-25H
InChIKeyBEECRCQEXILRGA-UHFFFAOYSA-N
MW511.62 g/mol
LogP10.90
Rot. Bonds3

About 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine

10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine (PubChem CID 58251173) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine.

Molecular Properties

Compound Name10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
PubChem CID58251173
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC Name10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C38H25NO/c1-3-11-28-21-30(19-17-26(28)9-1)32-23-33(31-20-18-27-10-2-4-12-29(27)22-31)25-34(24-32)39-35-13-5-7-15-37(35)40-38-16-8-6-14-36(38)39/h1-25H
InChIKeyBEECRCQEXILRGA-UHFFFAOYSA-N
XLogP10.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine?
The IUPAC name of 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine (CID 58251173) is 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine.
What is the SMILES notation for 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine?
The canonical SMILES for 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine?
The InChIKey is BEECRCQEXILRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-3-11-28-21-30(19-17-26(28)9-1)32-23-33(31-20-18-27-10-2-4-12-29(27)22-31)25-34(24-32)39-35-13-5-7-15-37(35)40-38-16-8-6-14-36(38)39/h1-25H.
What are the key properties of 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine?
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine has a molecular weight of 511.62 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine is sourced from PubChem (CID 58251173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).