(7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane

C205H128N6O3S2Si3 — CID 157057936

IUPAC(7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4oc4ccccc45)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)c2cc3c(s2)-c2cccnc2-c2ccccc2-c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2ccccc2-3)cc1
InChIInChI=1S/C69H43NS2Si.C68H43N3OSi.C68H42N2O2Si/c1-3-19-45(20-4-1)73(46-21-5-2-6-22-46,66-43-64-55-29-12-9-25-51(55)52-26-13-14-31-59(52)67-61(69(64)72-66)34-18-40-70-67)47-37-39-57-56-38-36-44(48-32-17-33-60-58-30-15-16-35-65(58)71-68(48)60)41-62(56)53-27-10-7-23-49(53)50-24-8-11-28-54(50)63(57)42-47;1-3-19-45(20-4-1)73(46-21-5-2-6-22-46,65-43-62-53-28-12-9-25-50(53)58-31-17-39-69-66(58)67-59(68(62)72-65)32-18-40-70-67)47-36-38-55-54-37-35-44(71-63-33-15-13-29-56(63)57-30-14-16-34-64(57)71)41-60(54)51-26-10-7-23-48(51)49-24-8-11-27-52(49)61(55)42-47;1-3-18-44(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(68(62)72-64)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)71-67(47)58)40-60(54)51-25-10-7-22-48(51)49-23-8-11-26-52(49)61(55)41-46/h2*1-43H;1-42H/b50-49-,52-51-,57-56-,62-53-,63-54-,64-55-,67-59+,69-61+;49-48-,55-54-,58-50-,60-51-,61-52-,62-53-,67-66-,68-59+;49-48-,55-54-,57-50-,60-51-,61-52-,62-53-,66-65-,68-59+
InChIKeyAAZBEAHJYPDTOO-ABRXKEFASA-N
MW2871.71 g/mol
LogP46.00
Rot. Bonds15

About (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane

(7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane (PubChem CID 157057936) has the molecular formula C205H128N6O3S2Si3 and a molecular weight of 2871.71 g/mol. Its IUPAC name is (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane.

Molecular Properties

Compound Name(7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane
PubChem CID157057936
Molecular FormulaC205H128N6O3S2Si3
Molecular Weight2871.71 g/mol
Exact Mass2868.88
IUPAC Name(7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4oc4ccccc45)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)c2cc3c(s2)-c2cccnc2-c2ccccc2-c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2ccccc2-3)cc1
InChIInChI=1S/C69H43NS2Si.C68H43N3OSi.C68H42N2O2Si/c1-3-19-45(20-4-1)73(46-21-5-2-6-22-46,66-43-64-55-29-12-9-25-51(55)52-26-13-14-31-59(52)67-61(69(64)72-66)34-18-40-70-67)47-37-39-57-56-38-36-44(48-32-17-33-60-58-30-15-16-35-65(58)71-68(48)60)41-62(56)53-27-10-7-23-49(53)50-24-8-11-28-54(50)63(57)42-47;1-3-19-45(20-4-1)73(46-21-5-2-6-22-46,65-43-62-53-28-12-9-25-50(53)58-31-17-39-69-66(58)67-59(68(62)72-65)32-18-40-70-67)47-36-38-55-54-37-35-44(71-63-33-15-13-29-56(63)57-30-14-16-34-64(57)71)41-60(54)51-26-10-7-23-48(51)49-24-8-11-27-52(49)61(55)42-47;1-3-18-44(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(68(62)72-64)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)71-67(47)58)40-60(54)51-25-10-7-22-48(51)49-23-8-11-26-52(49)61(55)41-46/h2*1-43H;1-42H/b50-49-,52-51-,57-56-,62-53-,63-54-,64-55-,67-59+,69-61+;49-48-,55-54-,58-50-,60-51-,61-52-,62-53-,67-66-,68-59+;49-48-,55-54-,57-50-,60-51-,61-52-,62-53-,66-65-,68-59+
InChIKeyAAZBEAHJYPDTOO-ABRXKEFASA-N
XLogP46.00
TPSA108.80 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002871.71
LogP ≤ 546.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane?
The IUPAC name of (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane (CID 157057936) is (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane.
What is the SMILES notation for (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane?
The canonical SMILES for (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane is c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4oc4ccccc45)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)c2cc3c(s2)-c2cccnc2-c2ccccc2-c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)c2cc3c(o2)-c2cccnc2-c2ncccc2-c2ccccc2-3)cc1.
What is the InChIKey of (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane?
The InChIKey is AAZBEAHJYPDTOO-ABRXKEFASA-N. The full InChI is InChI=1S/C69H43NS2Si.C68H43N3OSi.C68H42N2O2Si/c1-3-19-45(20-4-1)73(46-21-5-2-6-22-46,66-43-64-55-29-12-9-25-51(55)52-26-13-14-31-59(52)67-61(69(64)72-66)34-18-40-70-67)47-37-39-57-56-38-36-44(48-32-17-33-60-58-30-15-16-35-65(58)71-68(48)60)41-62(56)53-27-10-7-23-49(53)50-24-8-11-28-54(50)63(57)42-47;1-3-19-45(20-4-1)73(46-21-5-2-6-22-46,65-43-62-53-28-12-9-25-50(53)58-31-17-39-69-66(58)67-59(68(62)72-65)32-18-40-70-67)47-36-38-55-54-37-35-44(71-63-33-15-13-29-56(63)57-30-14-16-34-64(57)71)41-60(54)51-26-10-7-23-48(51)49-24-8-11-27-52(49)61(55)42-47;1-3-18-44(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(68(62)72-64)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)71-67(47)58)40-60(54)51-25-10-7-22-48(51)49-23-8-11-26-52(49)61(55)41-46/h2*1-43H;1-42H/b50-49-,52-51-,57-56-,62-53-,63-54-,64-55-,67-59+,69-61+;49-48-,55-54-,58-50-,60-51-,61-52-,62-53-,67-66-,68-59+;49-48-,55-54-,57-50-,60-51-,61-52-,62-53-,66-65-,68-59+.
What are the key properties of (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane?
(7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane has a molecular weight of 2871.71 g/mol, XLogP of 46.00, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (7-carbazol-9-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-dibenzofuran-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)-diphenyl-(3-thia-20-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaen-4-yl)silane is sourced from PubChem (CID 157057936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).