2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole

C46H30N2O3S — CID 58028238

IUPAC2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole
SMILESCc1c(-c2nc3cc(-c4ccccc4)c(-c4ccccc4)cc3o2)oc2c(C)c(-c3nc4cc(-c5ccccc5)c(-c5ccccc5)cc4s3)oc12
InChIInChI=1S/C46H30N2O3S/c1-27-41-42(50-43(27)45-47-37-23-33(29-15-7-3-8-16-29)35(25-39(37)49-45)31-19-11-5-12-20-31)28(2)44(51-41)46-48-38-24-34(30-17-9-4-10-18-30)36(26-40(38)52-46)32-21-13-6-14-22-32/h3-26H,1-2H3
InChIKeyZMKAOPQLCGQWGE-UHFFFAOYSA-N
MW690.82 g/mol
LogP13.40
Rot. Bonds6

About 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole

2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole (PubChem CID 58028238) has the molecular formula C46H30N2O3S and a molecular weight of 690.82 g/mol. Its IUPAC name is 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole
PubChem CID58028238
Molecular FormulaC46H30N2O3S
Molecular Weight690.82 g/mol
Exact Mass690.20
IUPAC Name2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole
SMILESCc1c(-c2nc3cc(-c4ccccc4)c(-c4ccccc4)cc3o2)oc2c(C)c(-c3nc4cc(-c5ccccc5)c(-c5ccccc5)cc4s3)oc12
InChIInChI=1S/C46H30N2O3S/c1-27-41-42(50-43(27)45-47-37-23-33(29-15-7-3-8-16-29)35(25-39(37)49-45)31-19-11-5-12-20-31)28(2)44(51-41)46-48-38-24-34(30-17-9-4-10-18-30)36(26-40(38)52-46)32-21-13-6-14-22-32/h3-26H,1-2H3
InChIKeyZMKAOPQLCGQWGE-UHFFFAOYSA-N
XLogP13.40
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.82
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole?
The IUPAC name of 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole (CID 58028238) is 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole?
The canonical SMILES for 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole is Cc1c(-c2nc3cc(-c4ccccc4)c(-c4ccccc4)cc3o2)oc2c(C)c(-c3nc4cc(-c5ccccc5)c(-c5ccccc5)cc4s3)oc12.
What is the InChIKey of 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole?
The InChIKey is ZMKAOPQLCGQWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O3S/c1-27-41-42(50-43(27)45-47-37-23-33(29-15-7-3-8-16-29)35(25-39(37)49-45)31-19-11-5-12-20-31)28(2)44(51-41)46-48-38-24-34(30-17-9-4-10-18-30)36(26-40(38)52-46)32-21-13-6-14-22-32/h3-26H,1-2H3.
What are the key properties of 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole?
2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole has a molecular weight of 690.82 g/mol, XLogP of 13.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole is sourced from PubChem (CID 58028238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).