4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide

C30H19NO3S — CID 122435618

IUPAC4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cccc(-c3ccccc3N3c4ccccc4Oc4ccccc43)c21
InChIInChI=1S/C30H19NO3S/c32-35(33)29-19-8-2-11-21(29)23-13-9-12-22(30(23)35)20-10-1-3-14-24(20)31-25-15-4-6-17-27(25)34-28-18-7-5-16-26(28)31/h1-19H
InChIKeyFAHFCIGFYDOUEC-UHFFFAOYSA-N
MW473.55 g/mol
LogP7.74
Rot. Bonds2

About 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide

4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide (PubChem CID 122435618) has the molecular formula C30H19NO3S and a molecular weight of 473.55 g/mol. Its IUPAC name is 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide
PubChem CID122435618
Molecular FormulaC30H19NO3S
Molecular Weight473.55 g/mol
Exact Mass473.11
IUPAC Name4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cccc(-c3ccccc3N3c4ccccc4Oc4ccccc43)c21
InChIInChI=1S/C30H19NO3S/c32-35(33)29-19-8-2-11-21(29)23-13-9-12-22(30(23)35)20-10-1-3-14-24(20)31-25-15-4-6-17-27(25)34-28-18-7-5-16-26(28)31/h1-19H
InChIKeyFAHFCIGFYDOUEC-UHFFFAOYSA-N
XLogP7.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(5,5-dioxodibenzothiophen-4-yl)phenyl]phenothiazine 5,5-dioxide
CID 145125649
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
CID 144851825
(5,5-dioxodibenzothiophen-4-yl)boronic acid
CID 170898980
(5,5-dioxodibenzothiophen-4-yl)-trimethylsilane
CID 165347293
1-methylphenoxathiine 10,10-dioxide
CID 10490634
4-[4-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)phenyl]dibenzothiophene 5,5-dioxide
CID 122435829
naphtho[1,2-b][1]benzothiole 11,11-dioxide
CID 13360927
10-(2-pyridin-4-ylphenyl)phenoxazine
CID 175717759
10-[3-(4-phenoxazin-10-yl-3-pyridinyl)-4-pyridinyl]phenoxazine
CID 140910344
2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
(2-phenoxazin-10-ylphenyl)-phenylmethanone
CID 121420431
5,5-dioxodibenzothiophene-3,4-diol
CID 54317677

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide (CID 122435618) is 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2cccc(-c3ccccc3N3c4ccccc4Oc4ccccc43)c21.
What is the InChIKey of 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide?
The InChIKey is FAHFCIGFYDOUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NO3S/c32-35(33)29-19-8-2-11-21(29)23-13-9-12-22(30(23)35)20-10-1-3-14-24(20)31-25-15-4-6-17-27(25)34-28-18-7-5-16-26(28)31/h1-19H.
What are the key properties of 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide?
4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide has a molecular weight of 473.55 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxazin-10-ylphenyl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 122435618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).