diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane

C56H34N6S2Si — CID 140811577

IUPACdiphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)c2nccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)cc1
InChIInChI=1S/C56H34N6S2Si/c1-3-13-35(14-4-1)65(36-15-5-2-6-16-36,55-53-41(25-31-59-55)39-19-11-23-49(51(39)63-53)61-45-21-9-7-17-37(45)43-33-57-29-27-47(43)61)56-54-42(26-32-60-56)40-20-12-24-50(52(40)64-54)62-46-22-10-8-18-38(46)44-34-58-30-28-48(44)62/h1-34H
InChIKeyXWIDQADHBAPIAS-UHFFFAOYSA-N
MW883.15 g/mol
LogP11.57
Rot. Bonds6

About diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane

diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane (PubChem CID 140811577) has the molecular formula C56H34N6S2Si and a molecular weight of 883.15 g/mol. Its IUPAC name is diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane.

Molecular Properties

Compound Namediphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
PubChem CID140811577
Molecular FormulaC56H34N6S2Si
Molecular Weight883.15 g/mol
Exact Mass882.21
IUPAC Namediphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)c2nccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)cc1
InChIInChI=1S/C56H34N6S2Si/c1-3-13-35(14-4-1)65(36-15-5-2-6-16-36,55-53-41(25-31-59-55)39-19-11-23-49(51(39)63-53)61-45-21-9-7-17-37(45)43-33-57-29-27-47(43)61)56-54-42(26-32-60-56)40-20-12-24-50(52(40)64-54)62-46-22-10-8-18-38(46)44-34-58-30-28-48(44)62/h1-34H
InChIKeyXWIDQADHBAPIAS-UHFFFAOYSA-N
XLogP11.57
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.15
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?
The IUPAC name of diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane (CID 140811577) is diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane.
What is the SMILES notation for diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?
The canonical SMILES for diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane is c1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)c2nccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)cc1.
What is the InChIKey of diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?
The InChIKey is XWIDQADHBAPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6S2Si/c1-3-13-35(14-4-1)65(36-15-5-2-6-16-36,55-53-41(25-31-59-55)39-19-11-23-49(51(39)63-53)61-45-21-9-7-17-37(45)43-33-57-29-27-47(43)61)56-54-42(26-32-60-56)40-20-12-24-50(52(40)64-54)62-46-22-10-8-18-38(46)44-34-58-30-28-48(44)62/h1-34H.
What are the key properties of diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?
diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane has a molecular weight of 883.15 g/mol, XLogP of 11.57, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane is sourced from PubChem (CID 140811577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).