6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole

C31H18N2OS — CID 118228349

IUPAC6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc5c4sc4ccccc45)c3o2)cc1
InChIInChI=1S/C31H18N2OS/c1-2-9-19(10-3-1)31-32-23-17-18-25-28(29(23)34-31)22-12-4-6-14-24(22)33(25)26-15-8-13-21-20-11-5-7-16-27(20)35-30(21)26/h1-18H
InChIKeyPDYXDZGETVQJQR-UHFFFAOYSA-N
MW466.57 g/mol
LogP8.96
Rot. Bonds2

About 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole

6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 118228349) has the molecular formula C31H18N2OS and a molecular weight of 466.57 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
PubChem CID118228349
Molecular FormulaC31H18N2OS
Molecular Weight466.57 g/mol
Exact Mass466.11
IUPAC Name6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc5c4sc4ccccc45)c3o2)cc1
InChIInChI=1S/C31H18N2OS/c1-2-9-19(10-3-1)31-32-23-17-18-25-28(29(23)34-31)22-12-4-6-14-24(22)33(25)26-15-8-13-21-20-11-5-7-16-27(20)35-30(21)26/h1-18H
InChIKeyPDYXDZGETVQJQR-UHFFFAOYSA-N
XLogP8.96
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole (CID 118228349) is 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole is c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc5c4sc4ccccc45)c3o2)cc1.
What is the InChIKey of 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is PDYXDZGETVQJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2OS/c1-2-9-19(10-3-1)31-32-23-17-18-25-28(29(23)34-31)22-12-4-6-14-24(22)33(25)26-15-8-13-21-20-11-5-7-16-27(20)35-30(21)26/h1-18H.
What are the key properties of 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole?
6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 466.57 g/mol, XLogP of 8.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-4-yl-2-phenyl-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 118228349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).