benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane

C133H86N12O4S2Si3 — CID 157377293

IUPACbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane
SMILESCc1cc2nc3sc4ccccc4n3c2cc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc3nc4sc5ccccc5n4c3c2)c1.c1ccc([Si](c2ccccc2)(c2ccc3nc4oc5ccccc5n4c3c2)c2ccc3nc4oc5ccccc5n4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)cc1
InChIInChI=1S/C50H32N4O2Si.C45H30N4S2Si.C38H24N4O2Si/c1-3-15-37(16-4-1)57(38-17-5-2-6-18-38,39-19-11-13-33(29-39)35-25-27-41-45(31-35)53-43-21-7-9-23-47(43)55-49(53)51-41)40-20-12-14-34(30-40)36-26-28-42-46(32-36)54-44-22-8-10-24-48(44)56-50(54)52-42;1-29-25-37-41(49-39-20-9-11-22-43(39)51-45(49)47-37)28-35(29)30-13-12-18-33(26-30)52(31-14-4-2-5-15-31,32-16-6-3-7-17-32)34-23-24-36-40(27-34)48-38-19-8-10-21-42(38)50-44(48)46-36;1-3-11-25(12-4-1)45(26-13-5-2-6-14-26,27-19-21-29-33(23-27)41-31-15-7-9-17-35(31)43-37(41)39-29)28-20-22-30-34(24-28)42-32-16-8-10-18-36(32)44-38(42)40-30/h1-32H;2-28H,1H3;1-24H
InChIKeyBKLTXZGGXRNWLF-UHFFFAOYSA-N
MW2064.62 g/mol
LogP24.72
Rot. Bonds15

About benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane

benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane (PubChem CID 157377293) has the molecular formula C133H86N12O4S2Si3 and a molecular weight of 2064.62 g/mol. Its IUPAC name is benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Namebenzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane
PubChem CID157377293
Molecular FormulaC133H86N12O4S2Si3
Molecular Weight2064.62 g/mol
Exact Mass2062.56
IUPAC Namebenzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane
SMILESCc1cc2nc3sc4ccccc4n3c2cc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc3nc4sc5ccccc5n4c3c2)c1.c1ccc([Si](c2ccccc2)(c2ccc3nc4oc5ccccc5n4c3c2)c2ccc3nc4oc5ccccc5n4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)cc1
InChIInChI=1S/C50H32N4O2Si.C45H30N4S2Si.C38H24N4O2Si/c1-3-15-37(16-4-1)57(38-17-5-2-6-18-38,39-19-11-13-33(29-39)35-25-27-41-45(31-35)53-43-21-7-9-23-47(43)55-49(53)51-41)40-20-12-14-34(30-40)36-26-28-42-46(32-36)54-44-22-8-10-24-48(44)56-50(54)52-42;1-29-25-37-41(49-39-20-9-11-22-43(39)51-45(49)47-37)28-35(29)30-13-12-18-33(26-30)52(31-14-4-2-5-15-31,32-16-6-3-7-17-32)34-23-24-36-40(27-34)48-38-19-8-10-21-42(38)50-44(48)46-36;1-3-11-25(12-4-1)45(26-13-5-2-6-14-26,27-19-21-29-33(23-27)41-31-15-7-9-17-35(31)43-37(41)39-29)28-20-22-30-34(24-28)42-32-16-8-10-18-36(32)44-38(42)40-30/h1-32H;2-28H,1H3;1-24H
InChIKeyBKLTXZGGXRNWLF-UHFFFAOYSA-N
XLogP24.72
TPSA156.36 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002064.62
LogP ≤ 524.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane?
The IUPAC name of benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane (CID 157377293) is benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane.
What is the SMILES notation for benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane?
The canonical SMILES for benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane is Cc1cc2nc3sc4ccccc4n3c2cc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc3nc4sc5ccccc5n4c3c2)c1.c1ccc([Si](c2ccccc2)(c2ccc3nc4oc5ccccc5n4c3c2)c2ccc3nc4oc5ccccc5n4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)cc1.
What is the InChIKey of benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane?
The InChIKey is BKLTXZGGXRNWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O2Si.C45H30N4S2Si.C38H24N4O2Si/c1-3-15-37(16-4-1)57(38-17-5-2-6-18-38,39-19-11-13-33(29-39)35-25-27-41-45(31-35)53-43-21-7-9-23-47(43)55-49(53)51-41)40-20-12-14-34(30-40)36-26-28-42-46(32-36)54-44-22-8-10-24-48(44)56-50(54)52-42;1-29-25-37-41(49-39-20-9-11-22-43(39)51-45(49)47-37)28-35(29)30-13-12-18-33(26-30)52(31-14-4-2-5-15-31,32-16-6-3-7-17-32)34-23-24-36-40(27-34)48-38-19-8-10-21-42(38)50-44(48)46-36;1-3-11-25(12-4-1)45(26-13-5-2-6-14-26,27-19-21-29-33(23-27)41-31-15-7-9-17-35(31)43-37(41)39-29)28-20-22-30-34(24-28)42-32-16-8-10-18-36(32)44-38(42)40-30/h1-32H;2-28H,1H3;1-24H.
What are the key properties of benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane?
benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane has a molecular weight of 2064.62 g/mol, XLogP of 24.72, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 157377293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).