(4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane

C70H44N2SSi — CID 140920363

IUPAC(4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2nc(-c4cccc5c4sc4ccccc45)ncc2-3)cc1
InChIInChI=1S/C70H44N2SSi/c1-3-20-45(21-4-1)74(46-22-5-2-6-23-46,47-38-40-58-53-28-10-9-26-51(53)49-24-7-8-25-50(49)52-27-11-13-31-56(52)64(58)42-47)48-39-41-59-65(43-48)57-32-14-12-29-54(57)55-30-15-16-34-61(55)68-66(59)44-71-70(72-68)63-36-19-35-62-60-33-17-18-37-67(60)73-69(62)63/h1-44H/b51-49-,52-50-,55-54-,58-53-,64-56-,65-57-,66-59-,68-61+
InChIKeyUKGCZIAMLNCKAG-YMMDVUKGSA-N
MW973.29 g/mol
LogP15.85
Rot. Bonds5

About (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane

(4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane (PubChem CID 140920363) has the molecular formula C70H44N2SSi and a molecular weight of 973.29 g/mol. Its IUPAC name is (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane.

Molecular Properties

Compound Name(4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane
PubChem CID140920363
Molecular FormulaC70H44N2SSi
Molecular Weight973.29 g/mol
Exact Mass972.30
IUPAC Name(4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2nc(-c4cccc5c4sc4ccccc45)ncc2-3)cc1
InChIInChI=1S/C70H44N2SSi/c1-3-20-45(21-4-1)74(46-22-5-2-6-23-46,47-38-40-58-53-28-10-9-26-51(53)49-24-7-8-25-50(49)52-27-11-13-31-56(52)64(58)42-47)48-39-41-59-65(43-48)57-32-14-12-29-54(57)55-30-15-16-34-61(55)68-66(59)44-71-70(72-68)63-36-19-35-62-60-33-17-18-37-67(60)73-69(62)63/h1-44H/b51-49-,52-50-,55-54-,58-53-,64-56-,65-57-,66-59-,68-61+
InChIKeyUKGCZIAMLNCKAG-YMMDVUKGSA-N
XLogP15.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.29
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane with MolForge

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Related Compounds

(3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane
CID 58421117
2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349309
21-dibenzothiophen-4-yl-3-thia-9,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaene
CID 147426506
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-dibenzothiophen-4-yl-4-[4-(3-phenylphenyl)naphthalen-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481333
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
2,4-di(dibenzothiophen-4-yl)-6-(2-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 167349299
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 155481250
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)pyrimidine
CID 155079114
bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 161133194
4,6-di(dibenzothiophen-4-yl)-2-[4-phenyl-2-(3-phenylphenyl)phenyl]pyrimidine
CID 167349703

Frequently Asked Questions

What is the IUPAC name of (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane?
The IUPAC name of (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane (CID 140920363) is (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane.
What is the SMILES notation for (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane?
The canonical SMILES for (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane is c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2nc(-c4cccc5c4sc4ccccc45)ncc2-3)cc1.
What is the InChIKey of (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane?
The InChIKey is UKGCZIAMLNCKAG-YMMDVUKGSA-N. The full InChI is InChI=1S/C70H44N2SSi/c1-3-20-45(21-4-1)74(46-22-5-2-6-23-46,47-38-40-58-53-28-10-9-26-51(53)49-24-7-8-25-50(49)52-27-11-13-31-56(52)64(58)42-47)48-39-41-59-65(43-48)57-32-14-12-29-54(57)55-30-15-16-34-61(55)68-66(59)44-71-70(72-68)63-36-19-35-62-60-33-17-18-37-67(60)73-69(62)63/h1-44H/b51-49-,52-50-,55-54-,58-53-,64-56-,65-57-,66-59-,68-61+.
What are the key properties of (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane?
(4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane has a molecular weight of 973.29 g/mol, XLogP of 15.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dibenzothiophen-4-yl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-diphenyl-tetraphenylen-2-ylsilane is sourced from PubChem (CID 140920363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).