(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane

C68H42N2OSSi — CID 140932015

IUPAC(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2ccccc2-3)cc1
InChIInChI=1S/C68H42N2OSSi/c1-3-18-44(19-4-1)73(45-20-5-2-6-21-45,64-42-62-53-27-12-9-24-50(53)57-31-16-38-69-65(57)66-59(67(62)71-64)32-17-39-70-66)46-35-37-55-54-36-34-43(47-29-15-30-58-56-28-13-14-33-63(56)72-68(47)58)40-60(54)51-25-10-7-22-48(51)49-23-8-11-26-52(49)61(55)41-46/h1-42H/b49-48-,55-54-,57-50-,60-51-,61-52-,62-53-,66-65-,67-59+
InChIKeyRJYZUIABZVQJMU-LOWIOTHISA-N
MW963.25 g/mol
LogP15.44
Rot. Bonds5

About (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane

(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane (PubChem CID 140932015) has the molecular formula C68H42N2OSSi and a molecular weight of 963.25 g/mol. Its IUPAC name is (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane.

Molecular Properties

Compound Name(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane
PubChem CID140932015
Molecular FormulaC68H42N2OSSi
Molecular Weight963.25 g/mol
Exact Mass962.28
IUPAC Name(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2ccccc2-3)cc1
InChIInChI=1S/C68H42N2OSSi/c1-3-18-44(19-4-1)73(45-20-5-2-6-21-45,64-42-62-53-27-12-9-24-50(53)57-31-16-38-69-65(57)66-59(67(62)71-64)32-17-39-70-66)46-35-37-55-54-36-34-43(47-29-15-30-58-56-28-13-14-33-63(56)72-68(47)58)40-60(54)51-25-10-7-22-48(51)49-23-8-11-26-52(49)61(55)41-46/h1-42H/b49-48-,55-54-,57-50-,60-51-,61-52-,62-53-,66-65-,67-59+
InChIKeyRJYZUIABZVQJMU-LOWIOTHISA-N
XLogP15.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.25
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-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-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane?
The IUPAC name of (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane (CID 140932015) is (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane.
What is the SMILES notation for (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane?
The canonical SMILES for (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2ccccc2-3)cc1.
What is the InChIKey of (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane?
The InChIKey is RJYZUIABZVQJMU-LOWIOTHISA-N. The full InChI is InChI=1S/C68H42N2OSSi/c1-3-18-44(19-4-1)73(45-20-5-2-6-21-45,64-42-62-53-27-12-9-24-50(53)57-31-16-38-69-65(57)66-59(67(62)71-64)32-17-39-70-66)46-35-37-55-54-36-34-43(47-29-15-30-58-56-28-13-14-33-63(56)72-68(47)58)40-60(54)51-25-10-7-22-48(51)49-23-8-11-26-52(49)61(55)41-46/h1-42H/b49-48-,55-54-,57-50-,60-51-,61-52-,62-53-,66-65-,67-59+.
What are the key properties of (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane?
(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane has a molecular weight of 963.25 g/mol, XLogP of 15.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-17,20-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13(18),14,16,20,22-undecaen-4-yl)-diphenylsilane is sourced from PubChem (CID 140932015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).