(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene

C102H69Br3N2S3Si2 — CID 161297195

IUPAC(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene
SMILESBrc1cccc(Br)c1.Brc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C54H36N2SSi.C30H21BrSSi.C12H8S.C6H4Br2/c1-3-18-39(19-4-1)58(40-20-5-2-6-21-40,53-32-16-27-46-45-26-10-14-31-52(45)57-54(46)53)41-22-15-17-37(35-41)55-50-30-13-9-25-44(50)47-36-38(33-34-51(47)55)56-48-28-11-7-23-42(48)43-24-8-12-29-49(43)56;31-22-11-9-16-25(21-22)33(23-12-3-1-4-13-23,24-14-5-2-6-15-24)29-20-10-18-27-26-17-7-8-19-28(26)32-30(27)29;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-5-2-1-3-6(8)4-5/h1-36H;1-21H;1-8H;1-4H
InChIKeyVHCZXPCORYZPER-UHFFFAOYSA-N
MW1714.77 g/mol
LogP25.09
Rot. Bonds10

About (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene

(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene (PubChem CID 161297195) has the molecular formula C102H69Br3N2S3Si2 and a molecular weight of 1714.77 g/mol. Its IUPAC name is (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene.

Molecular Properties

Compound Name(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene
PubChem CID161297195
Molecular FormulaC102H69Br3N2S3Si2
Molecular Weight1714.77 g/mol
Exact Mass1710.17
IUPAC Name(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene
SMILESBrc1cccc(Br)c1.Brc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C54H36N2SSi.C30H21BrSSi.C12H8S.C6H4Br2/c1-3-18-39(19-4-1)58(40-20-5-2-6-21-40,53-32-16-27-46-45-26-10-14-31-52(45)57-54(46)53)41-22-15-17-37(35-41)55-50-30-13-9-25-44(50)47-36-38(33-34-51(47)55)56-48-28-11-7-23-42(48)43-24-8-12-29-49(43)56;31-22-11-9-16-25(21-22)33(23-12-3-1-4-13-23,24-14-5-2-6-15-24)29-20-10-18-27-26-17-7-8-19-28(26)32-30(27)29;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-5-2-1-3-6(8)4-5/h1-36H;1-21H;1-8H;1-4H
InChIKeyVHCZXPCORYZPER-UHFFFAOYSA-N
XLogP25.09
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001714.77
LogP ≤ 525.09
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'}

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Related Compounds

[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;3-(9H-carbazol-3-yl)-9-phenylcarbazole;dibenzothiophen-4-yl-diphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 158752201
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
(3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane
CID 154007176
[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
CID 164756561
[3-[3-(4-dibenzothiophen-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588331
[3-(3-carbazol-9-ylindolo[1,2-a]benzimidazol-10-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophen-4-yl-[3-(3-indolo[1,2-a]benzimidazol-10-ylindolo[1,2-a]benzimidazol-10-yl)phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-(7-indolo[1,2-a]benzimidazol-10-ylindolo[1,2-a]benzimidazol-10-yl)phenyl]-diphenylsilane
CID 160634786
[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane
CID 171416886
dibenzothiophen-4-yl-diphenyl-[3-[3-[9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]silane
CID 174005488

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene?
The IUPAC name of (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene (CID 161297195) is (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene.
What is the SMILES notation for (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene?
The canonical SMILES for (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene is Brc1cccc(Br)c1.Brc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene?
The InChIKey is VHCZXPCORYZPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2SSi.C30H21BrSSi.C12H8S.C6H4Br2/c1-3-18-39(19-4-1)58(40-20-5-2-6-21-40,53-32-16-27-46-45-26-10-14-31-52(45)57-54(46)53)41-22-15-17-37(35-41)55-50-30-13-9-25-44(50)47-36-38(33-34-51(47)55)56-48-28-11-7-23-42(48)43-24-8-12-29-49(43)56;31-22-11-9-16-25(21-22)33(23-12-3-1-4-13-23,24-14-5-2-6-15-24)29-20-10-18-27-26-17-7-8-19-28(26)32-30(27)29;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-5-2-1-3-6(8)4-5/h1-36H;1-21H;1-8H;1-4H.
What are the key properties of (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene?
(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene has a molecular weight of 1714.77 g/mol, XLogP of 25.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene is sourced from PubChem (CID 161297195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).