3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C187H121N5OS2Si — CID 158542633

IUPAC3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5cc6c7ccccc7n(-c7cccc8ccccc78)c6cc5cc4c3)ccc2-c2ccc(-c3ccccn3)cc21.CC1(C)c2ccccc2-c2c1ccc1cc3cc(-n4c5ccccc5c5cc(-c6ccc7sc8c(-c9ccc%10ccccc%10c9)cc(-c9cccc%10ccccc9%10)cc8c7c6)ccc54)ccc3cc21.C[Si]1(C)c2ccccc2-c2ccc3cc4ccc(-n5c6ccccc6c6cc(-c7ccc8oc9c(-c%10cccc%11c%10sc%10ccccc%10%11)cccc9c8c7)ccc65)cc4cc3c21
InChIInChI=1S/C67H43NS.C62H41N3.C58H37NOSSi/c1-67(2)60-20-9-7-18-54(60)65-55-35-45-24-28-50(34-48(45)33-46(55)25-29-61(65)67)68-62-21-10-8-17-53(62)57-36-43(26-30-63(57)68)44-27-31-64-58(37-44)59-39-49(52-19-11-15-41-13-5-6-16-51(41)52)38-56(66(59)69-64)47-23-22-40-12-3-4-14-42(40)32-47;1-62(2)54-35-41(22-26-48(54)49-27-23-42(36-55(49)62)56-17-9-10-29-63-56)40-24-28-60-52(33-40)50-15-5-7-18-58(50)64(60)46-25-21-39-30-44-34-53-51-16-6-8-19-59(51)65(61(53)37-45(44)31-43(39)32-46)57-20-11-13-38-12-3-4-14-47(38)57;1-62(2)55-20-8-5-13-42(55)47-26-22-37-29-34-21-25-39(30-38(34)33-48(37)58(47)62)59-51-18-6-3-11-40(51)49-31-35(23-27-52(49)59)36-24-28-53-50(32-36)44-15-9-14-43(56(44)60-53)46-17-10-16-45-41-12-4-7-19-54(41)61-57(45)46/h3-39H,1-2H3;3-37H,1-2H3;3-33H,1-2H3
InChIKeyHOSFWYVMIFBPMJ-UHFFFAOYSA-N
MW2546.28 g/mol
LogP50.94
Rot. Bonds11

About 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 158542633) has the molecular formula C187H121N5OS2Si and a molecular weight of 2546.28 g/mol. Its IUPAC name is 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID158542633
Molecular FormulaC187H121N5OS2Si
Molecular Weight2546.28 g/mol
Exact Mass2543.88
IUPAC Name3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5cc6c7ccccc7n(-c7cccc8ccccc78)c6cc5cc4c3)ccc2-c2ccc(-c3ccccn3)cc21.CC1(C)c2ccccc2-c2c1ccc1cc3cc(-n4c5ccccc5c5cc(-c6ccc7sc8c(-c9ccc%10ccccc%10c9)cc(-c9cccc%10ccccc9%10)cc8c7c6)ccc54)ccc3cc21.C[Si]1(C)c2ccccc2-c2ccc3cc4ccc(-n5c6ccccc6c6cc(-c7ccc8oc9c(-c%10cccc%11c%10sc%10ccccc%10%11)cccc9c8c7)ccc65)cc4cc3c21
InChIInChI=1S/C67H43NS.C62H41N3.C58H37NOSSi/c1-67(2)60-20-9-7-18-54(60)65-55-35-45-24-28-50(34-48(45)33-46(55)25-29-61(65)67)68-62-21-10-8-17-53(62)57-36-43(26-30-63(57)68)44-27-31-64-58(37-44)59-39-49(52-19-11-15-41-13-5-6-16-51(41)52)38-56(66(59)69-64)47-23-22-40-12-3-4-14-42(40)32-47;1-62(2)54-35-41(22-26-48(54)49-27-23-42(36-55(49)62)56-17-9-10-29-63-56)40-24-28-60-52(33-40)50-15-5-7-18-58(50)64(60)46-25-21-39-30-44-34-53-51-16-6-8-19-59(51)65(61(53)37-45(44)31-43(39)32-46)57-20-11-13-38-12-3-4-14-47(38)57;1-62(2)55-20-8-5-13-42(55)47-26-22-37-29-34-21-25-39(30-38(34)33-48(37)58(47)62)59-51-18-6-3-11-40(51)49-31-35(23-27-52(49)59)36-24-28-53-50(32-36)44-15-9-14-43(56(44)60-53)46-17-10-16-45-41-12-4-7-19-54(41)61-57(45)46/h3-39H,1-2H3;3-37H,1-2H3;3-33H,1-2H3
InChIKeyHOSFWYVMIFBPMJ-UHFFFAOYSA-N
XLogP50.94
TPSA45.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms196
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002546.28
LogP ≤ 550.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 158542633) is 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5cc6c7ccccc7n(-c7cccc8ccccc78)c6cc5cc4c3)ccc2-c2ccc(-c3ccccn3)cc21.CC1(C)c2ccccc2-c2c1ccc1cc3cc(-n4c5ccccc5c5cc(-c6ccc7sc8c(-c9ccc%10ccccc%10c9)cc(-c9cccc%10ccccc9%10)cc8c7c6)ccc54)ccc3cc21.C[Si]1(C)c2ccccc2-c2ccc3cc4ccc(-n5c6ccccc6c6cc(-c7ccc8oc9c(-c%10cccc%11c%10sc%10ccccc%10%11)cccc9c8c7)ccc65)cc4cc3c21.
What is the InChIKey of 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is HOSFWYVMIFBPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NS.C62H41N3.C58H37NOSSi/c1-67(2)60-20-9-7-18-54(60)65-55-35-45-24-28-50(34-48(45)33-46(55)25-29-61(65)67)68-62-21-10-8-17-53(62)57-36-43(26-30-63(57)68)44-27-31-64-58(37-44)59-39-49(52-19-11-15-41-13-5-6-16-51(41)52)38-56(66(59)69-64)47-23-22-40-12-3-4-14-42(40)32-47;1-62(2)54-35-41(22-26-48(54)49-27-23-42(36-55(49)62)56-17-9-10-29-63-56)40-24-28-60-52(33-40)50-15-5-7-18-58(50)64(60)46-25-21-39-30-44-34-53-51-16-6-8-19-59(51)65(61(53)37-45(44)31-43(39)32-46)57-20-11-13-38-12-3-4-14-47(38)57;1-62(2)55-20-8-5-13-42(55)47-26-22-37-29-34-21-25-39(30-38(34)33-48(37)58(47)62)59-51-18-6-3-11-40(51)49-31-35(23-27-52(49)59)36-24-28-53-50(32-36)44-15-9-14-43(56(44)60-53)46-17-10-16-45-41-12-4-7-19-54(41)61-57(45)46/h3-39H,1-2H3;3-37H,1-2H3;3-33H,1-2H3.
What are the key properties of 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 2546.28 g/mol, XLogP of 50.94, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(12,12-dimethylanthra[1,2-b][1]benzosilol-2-yl)carbazole;9-(8,8-dimethylindeno[1,2-a]anthracen-3-yl)-3-(8-naphthalen-1-yl-6-naphthalen-2-yldibenzothiophen-2-yl)carbazole;17-[3-(9,9-dimethyl-7-pyridin-2-ylfluoren-2-yl)carbazol-9-yl]-10-naphthalen-1-yl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 158542633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).