5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole

C56H44N2OS5 — CID 22960175

IUPAC5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc2c(-c3ccc(-c4ccc(-c5nc6ccc(C7CCCCC7)cc6s5)s4)s3)c3ccccc3c(-c3ccc(-c4ccc(-c5nc6cc(C7CCCCC7)ccc6o5)s4)s3)c2c1
InChIInChI=1S/C56H44N2OS5/c1-3-11-33(12-4-1)35-20-22-43-42(31-35)57-55(59-43)50-29-25-46(62-50)44-23-27-48(60-44)53-37-15-7-9-17-39(37)54(40-18-10-8-16-38(40)53)49-28-24-45(61-49)47-26-30-51(63-47)56-58-41-21-19-36(32-52(41)64-56)34-13-5-2-6-14-34/h7-10,15-34H,1-6,11-14H2
InChIKeyFBIXTWMVJCJPLO-UHFFFAOYSA-N
MW921.32 g/mol
LogP19.09
Rot. Bonds8

About 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole

5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole (PubChem CID 22960175) has the molecular formula C56H44N2OS5 and a molecular weight of 921.32 g/mol. Its IUPAC name is 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole
PubChem CID22960175
Molecular FormulaC56H44N2OS5
Molecular Weight921.32 g/mol
Exact Mass920.21
IUPAC Name5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc2c(-c3ccc(-c4ccc(-c5nc6ccc(C7CCCCC7)cc6s5)s4)s3)c3ccccc3c(-c3ccc(-c4ccc(-c5nc6cc(C7CCCCC7)ccc6o5)s4)s3)c2c1
InChIInChI=1S/C56H44N2OS5/c1-3-11-33(12-4-1)35-20-22-43-42(31-35)57-55(59-43)50-29-25-46(62-50)44-23-27-48(60-44)53-37-15-7-9-17-39(37)54(40-18-10-8-16-38(40)53)49-28-24-45(61-49)47-26-30-51(63-47)56-58-41-21-19-36(32-52(41)64-56)34-13-5-2-6-14-34/h7-10,15-34H,1-6,11-14H2
InChIKeyFBIXTWMVJCJPLO-UHFFFAOYSA-N
XLogP19.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.32
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2,2'-Thiene-2,5-diylbis[5-(2-phenylpropan-2-yl)-1,3-benzoxazole]
CID 2193687
2-[4-(2,8-Diphenyldibenzothiophen-4-yl)phenyl]benzoxazole
CID 67608627
6-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]propan-2-yl]phenyl]-1,3-benzoxazole
CID 57957960
2-[1,5-Dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
CID 58028267
6-(Trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole
CID 58028270
2-[6-(1,3-Benzothiazol-2-yl)-9-[4-(2,3,5,6-tetrafluoro-4-isocyanophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155645285
Benzo[g][1,3]benzothiazol-2-yl-dimethyl-(8-methylnaphthalen-2-yl)silane;benzo[g][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[g][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[g][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;benzo[g][1,3]benzoxazol-2-yl-dimethyl-phenylsilane;1,3-benzothiazol-2-yl-dimethyl-thiophen-3-ylsilane;(5-tert-butylthiophen-3-yl)-dimethyl-(6-methyl-1,3-benzothiazol-2-yl)silane;dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylthiophen-3-yl)silane
CID 157912259
5-methyl-2-(2-methylphenyl)-1,3-benzothiazole;5-methyl-2-phenyl-1,3-benzothiazole;5-methyl-2-phenyl-1,3-benzoxazole;bis(6-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole)
CID 157941746
5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole
CID 158300514
methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 158586125
Benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-2-ylsilane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-phenylsilane;[5,6-bis(trifluoromethyl)-1,3-benzothiazol-2-yl]-dimethyl-[4-(trifluoromethyl)phenyl]silane;(6,7-dimethyl-1,3-benzoxazol-2-yl)-dimethyl-(4-phenylphenyl)silane;dimethyl-(6-methyl-1,3-benzothiazol-2-yl)-naphthalen-1-ylsilane;dimethyl-naphthalen-2-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]silane;dimethyl-phenyl-(4,5,6,7-tetramethyl-1,3-benzoxazol-2-yl)silane
CID 159201572
2-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzothiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzoxazole;6-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole
CID 159630054

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole?
The IUPAC name of 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole (CID 22960175) is 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole is c1ccc2c(-c3ccc(-c4ccc(-c5nc6ccc(C7CCCCC7)cc6s5)s4)s3)c3ccccc3c(-c3ccc(-c4ccc(-c5nc6cc(C7CCCCC7)ccc6o5)s4)s3)c2c1.
What is the InChIKey of 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole?
The InChIKey is FBIXTWMVJCJPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2OS5/c1-3-11-33(12-4-1)35-20-22-43-42(31-35)57-55(59-43)50-29-25-46(62-50)44-23-27-48(60-44)53-37-15-7-9-17-39(37)54(40-18-10-8-16-38(40)53)49-28-24-45(61-49)47-26-30-51(63-47)56-58-41-21-19-36(32-52(41)64-56)34-13-5-2-6-14-34/h7-10,15-34H,1-6,11-14H2.
What are the key properties of 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole?
5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole has a molecular weight of 921.32 g/mol, XLogP of 19.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-[5-[5-[10-[5-[5-(6-cyclohexyl-1,3-benzothiazol-2-yl)thiophen-2-yl]thiophen-2-yl]anthracen-9-yl]thiophen-2-yl]thiophen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 22960175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).