(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane

C66H40N2OS2Si — CID 140932155

IUPAC(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2sccc2-3)cc1
InChIInChI=1S/C66H40N2OS2Si/c1-3-16-42(17-4-1)72(43-18-5-2-6-19-43,61-40-59-54-34-37-70-65(54)56-28-15-36-68-63(56)62-55(64(59)69-61)27-14-35-67-62)44-31-33-51-50-32-30-41(45-25-13-26-53-52-24-11-12-29-60(52)71-66(45)53)38-57(50)48-22-9-7-20-46(48)47-21-8-10-23-49(47)58(51)39-44/h1-40H/b47-46-,51-50-,57-48-,58-49-,59-54-,63-62-,64-55+,65-56+
InChIKeyXEMJGQGZPOSTOI-MPRIPQCQSA-N
MW969.28 g/mol
LogP15.51
Rot. Bonds5

About (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane

(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane (PubChem CID 140932155) has the molecular formula C66H40N2OS2Si and a molecular weight of 969.28 g/mol. Its IUPAC name is (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane.

Molecular Properties

Compound Name(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane
PubChem CID140932155
Molecular FormulaC66H40N2OS2Si
Molecular Weight969.28 g/mol
Exact Mass968.24
IUPAC Name(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2sccc2-3)cc1
InChIInChI=1S/C66H40N2OS2Si/c1-3-16-42(17-4-1)72(43-18-5-2-6-19-43,61-40-59-54-34-37-70-65(54)56-28-15-36-68-63(56)62-55(64(59)69-61)27-14-35-67-62)44-31-33-51-50-32-30-41(45-25-13-26-53-52-24-11-12-29-60(52)71-66(45)53)38-57(50)48-22-9-7-20-46(48)47-21-8-10-23-49(47)58(51)39-44/h1-40H/b47-46-,51-50-,57-48-,58-49-,59-54-,63-62-,64-55+,65-56+
InChIKeyXEMJGQGZPOSTOI-MPRIPQCQSA-N
XLogP15.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.28
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane?
The IUPAC name of (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane (CID 140932155) is (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane.
What is the SMILES notation for (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane?
The canonical SMILES for (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2sccc2-3)cc1.
What is the InChIKey of (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane?
The InChIKey is XEMJGQGZPOSTOI-MPRIPQCQSA-N. The full InChI is InChI=1S/C66H40N2OS2Si/c1-3-16-42(17-4-1)72(43-18-5-2-6-19-43,61-40-59-54-34-37-70-65(54)56-28-15-36-68-63(56)62-55(64(59)69-61)27-14-35-67-62)44-31-33-51-50-32-30-41(45-25-13-26-53-52-24-11-12-29-60(52)71-66(45)53)38-57(50)48-22-9-7-20-46(48)47-21-8-10-23-49(47)58(51)39-44/h1-40H/b47-46-,51-50-,57-48-,58-49-,59-54-,63-62-,64-55+,65-56+.
What are the key properties of (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane?
(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane has a molecular weight of 969.28 g/mol, XLogP of 15.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane is sourced from PubChem (CID 140932155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).