5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole

C43H24N4O3S2 — CID 141121764

IUPAC5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3c(-c4nccs4)c(-c4ncco4)c4oc(-c5cccc6c5[nH]c5ccccc56)nc4c3Sc3cccc4ccccc34)cc2c1
InChIInChI=1S/C43H24N4O3S2/c1-3-12-26-24(9-1)11-7-18-33(26)52-40-34(32-23-25-10-2-6-17-31(25)49-32)35(43-45-20-22-51-43)36(42-44-19-21-48-42)39-38(40)47-41(50-39)29-15-8-14-28-27-13-4-5-16-30(27)46-37(28)29/h1-23,46H
InChIKeyDDYGXDDVHLHSGP-UHFFFAOYSA-N
MW708.82 g/mol
LogP12.63
Rot. Bonds6

About 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole

5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole (PubChem CID 141121764) has the molecular formula C43H24N4O3S2 and a molecular weight of 708.82 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole
PubChem CID141121764
Molecular FormulaC43H24N4O3S2
Molecular Weight708.82 g/mol
Exact Mass708.13
IUPAC Name5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3c(-c4nccs4)c(-c4ncco4)c4oc(-c5cccc6c5[nH]c5ccccc56)nc4c3Sc3cccc4ccccc34)cc2c1
InChIInChI=1S/C43H24N4O3S2/c1-3-12-26-24(9-1)11-7-18-33(26)52-40-34(32-23-25-10-2-6-17-31(25)49-32)35(43-45-20-22-51-43)36(42-44-19-21-48-42)39-38(40)47-41(50-39)29-15-8-14-28-27-13-4-5-16-30(27)46-37(28)29/h1-23,46H
InChIKeyDDYGXDDVHLHSGP-UHFFFAOYSA-N
XLogP12.63
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.82
LogP ≤ 512.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole (CID 141121764) is 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole is c1ccc2oc(-c3c(-c4nccs4)c(-c4ncco4)c4oc(-c5cccc6c5[nH]c5ccccc56)nc4c3Sc3cccc4ccccc34)cc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The InChIKey is DDYGXDDVHLHSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N4O3S2/c1-3-12-26-24(9-1)11-7-18-33(26)52-40-34(32-23-25-10-2-6-17-31(25)49-32)35(43-45-20-22-51-43)36(42-44-19-21-48-42)39-38(40)47-41(50-39)29-15-8-14-28-27-13-4-5-16-30(27)46-37(28)29/h1-23,46H.
What are the key properties of 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole?
5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole has a molecular weight of 708.82 g/mol, XLogP of 12.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-2-(9H-carbazol-1-yl)-4-naphthalen-1-ylsulfanyl-7-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 141121764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).