[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole

C177H117N13O2S2Si — CID 157062135

IUPAC[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccnc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)c2)cc1
InChIInChI=1S/C49H33N3O.C48H32N4S.C46H31N3OSi.C34H21N3S/c1-49(2)40-26-32(33-20-13-21-37-36-19-10-12-23-46(36)53-47(33)37)24-25-34(40)38-28-45-39(27-41(38)49)35-18-9-11-22-44(35)52(45)48-50-42(30-14-5-3-6-15-30)29-43(51-48)31-16-7-4-8-17-31;1-48(2)39-26-31(32-20-13-21-36-35-19-10-12-23-43(35)53-44(32)36)24-25-33(39)37-28-42-38(27-40(37)48)34-18-9-11-22-41(34)52(42)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-4-16-33(17-5-1)51(34-18-6-2-7-19-34,35-20-8-3-9-21-35)36-22-14-15-32(31-36)40-29-30-47-46(48-40)49-41-25-12-10-24-39(41)44-42(49)28-27-38-37-23-11-13-26-43(37)50-45(38)44;1-3-11-22(12-4-1)27-21-28(23-13-5-2-6-14-23)36-34(35-27)37-29-17-9-7-16-26(29)32-30(37)20-19-25-24-15-8-10-18-31(24)38-33(25)32/h3-29H,1-2H3;3-28H,1-2H3;1-31H;1-21H
InChIKeyABLKHHUUEWDKKP-UHFFFAOYSA-N
MW2550.19 g/mol
LogP43.22
Rot. Bonds17

About [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole

[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 157062135) has the molecular formula C177H117N13O2S2Si and a molecular weight of 2550.19 g/mol. Its IUPAC name is [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID157062135
Molecular FormulaC177H117N13O2S2Si
Molecular Weight2550.19 g/mol
Exact Mass2547.87
IUPAC Name[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccnc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)c2)cc1
InChIInChI=1S/C49H33N3O.C48H32N4S.C46H31N3OSi.C34H21N3S/c1-49(2)40-26-32(33-20-13-21-37-36-19-10-12-23-46(36)53-47(33)37)24-25-34(40)38-28-45-39(27-41(38)49)35-18-9-11-22-44(35)52(45)48-50-42(30-14-5-3-6-15-30)29-43(51-48)31-16-7-4-8-17-31;1-48(2)39-26-31(32-20-13-21-36-35-19-10-12-23-43(35)53-44(32)36)24-25-33(39)37-28-42-38(27-40(37)48)34-18-9-11-22-41(34)52(42)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-4-16-33(17-5-1)51(34-18-6-2-7-19-34,35-20-8-3-9-21-35)36-22-14-15-32(31-36)40-29-30-47-46(48-40)49-41-25-12-10-24-39(41)44-42(49)28-27-38-37-23-11-13-26-43(37)50-45(38)44;1-3-11-22(12-4-1)27-21-28(23-13-5-2-6-14-23)36-34(35-27)37-29-17-9-7-16-26(29)32-30(37)20-19-25-24-15-8-10-18-31(24)38-33(25)32/h3-29H,1-2H3;3-28H,1-2H3;1-31H;1-21H
InChIKeyABLKHHUUEWDKKP-UHFFFAOYSA-N
XLogP43.22
TPSA162.01 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002550.19
LogP ≤ 543.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole (CID 157062135) is [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole is CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccnc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)c2)cc1.
What is the InChIKey of [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ABLKHHUUEWDKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O.C48H32N4S.C46H31N3OSi.C34H21N3S/c1-49(2)40-26-32(33-20-13-21-37-36-19-10-12-23-46(36)53-47(33)37)24-25-34(40)38-28-45-39(27-41(38)49)35-18-9-11-22-44(35)52(45)48-50-42(30-14-5-3-6-15-30)29-43(51-48)31-16-7-4-8-17-31;1-48(2)39-26-31(32-20-13-21-36-35-19-10-12-23-43(35)53-44(32)36)24-25-33(39)37-28-42-38(27-40(37)48)34-18-9-11-22-41(34)52(42)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-4-16-33(17-5-1)51(34-18-6-2-7-19-34,35-20-8-3-9-21-35)36-22-14-15-32(31-36)40-29-30-47-46(48-40)49-41-25-12-10-24-39(41)44-42(49)28-27-38-37-23-11-13-26-43(37)50-45(38)44;1-3-11-22(12-4-1)27-21-28(23-13-5-2-6-14-23)36-34(35-27)37-29-17-9-7-16-26(29)32-30(37)20-19-25-24-15-8-10-18-31(24)38-33(25)32/h3-29H,1-2H3;3-28H,1-2H3;1-31H;1-21H.
What are the key properties of [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole?
[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 2550.19 g/mol, XLogP of 43.22, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)pyrimidin-4-yl]phenyl]-triphenylsilane;9-dibenzofuran-4-yl-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;9-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 157062135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).