diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane

C68H42N6S2Si — CID 140811586

IUPACdiphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6c([Si](c7ccccc7)(c7ccccc7)c7nccc8c7sc7ccc(-c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cn9)cc78)nccc6c5c4)ncc32)cc1
InChIInChI=1S/C68H42N6S2Si/c1-5-17-45(18-6-1)73-59-27-15-13-25-49(59)53-39-57(71-41-61(53)73)43-29-31-63-55(37-43)51-33-35-69-67(65(51)75-63)77(47-21-9-3-10-22-47,48-23-11-4-12-24-48)68-66-52(34-36-70-68)56-38-44(30-32-64(56)76-66)58-40-54-50-26-14-16-28-60(50)74(62(54)42-72-58)46-19-7-2-8-20-46/h1-42H
InChIKeyWKYSKSUCMRYDAL-UHFFFAOYSA-N
MW1035.35 g/mol
LogP14.91
Rot. Bonds8

About diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane

diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane (PubChem CID 140811586) has the molecular formula C68H42N6S2Si and a molecular weight of 1035.35 g/mol. Its IUPAC name is diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane.

Molecular Properties

Compound Namediphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane
PubChem CID140811586
Molecular FormulaC68H42N6S2Si
Molecular Weight1035.35 g/mol
Exact Mass1034.27
IUPAC Namediphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6c([Si](c7ccccc7)(c7ccccc7)c7nccc8c7sc7ccc(-c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cn9)cc78)nccc6c5c4)ncc32)cc1
InChIInChI=1S/C68H42N6S2Si/c1-5-17-45(18-6-1)73-59-27-15-13-25-49(59)53-39-57(71-41-61(53)73)43-29-31-63-55(37-43)51-33-35-69-67(65(51)75-63)77(47-21-9-3-10-22-47,48-23-11-4-12-24-48)68-66-52(34-36-70-68)56-38-44(30-32-64(56)76-66)58-40-54-50-26-14-16-28-60(50)74(62(54)42-72-58)46-19-7-2-8-20-46/h1-42H
InChIKeyWKYSKSUCMRYDAL-UHFFFAOYSA-N
XLogP14.91
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.35
LogP ≤ 514.91
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[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane?
The IUPAC name of diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane (CID 140811586) is diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane.
What is the SMILES notation for diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane?
The canonical SMILES for diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane is c1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6c([Si](c7ccccc7)(c7ccccc7)c7nccc8c7sc7ccc(-c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cn9)cc78)nccc6c5c4)ncc32)cc1.
What is the InChIKey of diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane?
The InChIKey is WKYSKSUCMRYDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N6S2Si/c1-5-17-45(18-6-1)73-59-27-15-13-25-49(59)53-39-57(71-41-61(53)73)43-29-31-63-55(37-43)51-33-35-69-67(65(51)75-63)77(47-21-9-3-10-22-47,48-23-11-4-12-24-48)68-66-52(34-36-70-68)56-38-44(30-32-64(56)76-66)58-40-54-50-26-14-16-28-60(50)74(62(54)42-72-58)46-19-7-2-8-20-46/h1-42H.
What are the key properties of diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane?
diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane has a molecular weight of 1035.35 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis[6-(9-phenylpyrido[3,4-b]indol-3-yl)-[1]benzothiolo[2,3-c]pyridin-1-yl]silane is sourced from PubChem (CID 140811586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).