3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine

C60H32F2N6S4 — CID 134429102

IUPAC3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESFc1ccc2c(c1)N(c1ccc3sc4ccccc4c3c1)/C(=C1\N(c3ccc4sc5ccccc5c4c3)c3ccc(F)cc3N1c1cc3c(cn1)sc1ccccc13)N2c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C60H32F2N6S4/c61-33-18-22-46-47(25-33)66(36-20-24-54-42(28-36)38-10-2-6-14-50(38)70-54)60(67(46)57-29-43-39-11-3-7-15-51(39)71-55(43)31-63-57)59-65(35-19-23-53-41(27-35)37-9-1-5-13-49(37)69-53)45-21-17-34(62)26-48(45)68(59)58-30-44-40-12-4-8-16-52(40)72-56(44)32-64-58/h1-32H/b60-59-
InChIKeyXYQJASLAVHIFMZ-BOIJWLLJSA-N
MW1003.22 g/mol
LogP18.63
Rot. Bonds4

About 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine

3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 134429102) has the molecular formula C60H32F2N6S4 and a molecular weight of 1003.22 g/mol. Its IUPAC name is 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID134429102
Molecular FormulaC60H32F2N6S4
Molecular Weight1003.22 g/mol
Exact Mass1002.15
IUPAC Name3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESFc1ccc2c(c1)N(c1ccc3sc4ccccc4c3c1)/C(=C1\N(c3ccc4sc5ccccc5c4c3)c3ccc(F)cc3N1c1cc3c(cn1)sc1ccccc13)N2c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C60H32F2N6S4/c61-33-18-22-46-47(25-33)66(36-20-24-54-42(28-36)38-10-2-6-14-50(38)70-54)60(67(46)57-29-43-39-11-3-7-15-51(39)71-55(43)31-63-57)59-65(35-19-23-53-41(27-35)37-9-1-5-13-49(37)69-53)45-21-17-34(62)26-48(45)68(59)58-30-44-40-12-4-8-16-52(40)72-56(44)32-64-58/h1-32H/b60-59-
InChIKeyXYQJASLAVHIFMZ-BOIJWLLJSA-N
XLogP18.63
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.22
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine (CID 134429102) is 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine is Fc1ccc2c(c1)N(c1ccc3sc4ccccc4c3c1)/C(=C1\N(c3ccc4sc5ccccc5c4c3)c3ccc(F)cc3N1c1cc3c(cn1)sc1ccccc13)N2c1cc2c(cn1)sc1ccccc12.
What is the InChIKey of 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is XYQJASLAVHIFMZ-BOIJWLLJSA-N. The full InChI is InChI=1S/C60H32F2N6S4/c61-33-18-22-46-47(25-33)66(36-20-24-54-42(28-36)38-10-2-6-14-50(38)70-54)60(67(46)57-29-43-39-11-3-7-15-51(39)71-55(43)31-63-57)59-65(35-19-23-53-41(27-35)37-9-1-5-13-49(37)69-53)45-21-17-34(62)26-48(45)68(59)58-30-44-40-12-4-8-16-52(40)72-56(44)32-64-58/h1-32H/b60-59-.
What are the key properties of 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine?
3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 1003.22 g/mol, XLogP of 18.63, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 134429102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).