3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole

C48H29NSSe — CID 153475508

IUPAC3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5[se]c6ccc(-c7cccc(-c8ccc9sc%10ccccc%10c9c8)c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C48H29NSSe/c1-2-11-36(12-3-1)49-43-15-6-4-13-37(43)39-26-32(17-21-44(39)49)35-20-24-48-42(29-35)41-28-34(19-23-47(41)51-48)31-10-8-9-30(25-31)33-18-22-46-40(27-33)38-14-5-7-16-45(38)50-46/h1-29H
InChIKeyPEWYKZVUMTVUSN-UHFFFAOYSA-N
MW730.79 g/mol
LogP13.52
Rot. Bonds4

About 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole

3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole (PubChem CID 153475508) has the molecular formula C48H29NSSe and a molecular weight of 730.79 g/mol. Its IUPAC name is 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole
PubChem CID153475508
Molecular FormulaC48H29NSSe
Molecular Weight730.79 g/mol
Exact Mass731.12
IUPAC Name3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5[se]c6ccc(-c7cccc(-c8ccc9sc%10ccccc%10c9c8)c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C48H29NSSe/c1-2-11-36(12-3-1)49-43-15-6-4-13-37(43)39-26-32(17-21-44(39)49)35-20-24-48-42(29-35)41-28-34(19-23-47(41)51-48)31-10-8-9-30(25-31)33-18-22-46-40(27-33)38-14-5-7-16-45(38)50-46/h1-29H
InChIKeyPEWYKZVUMTVUSN-UHFFFAOYSA-N
XLogP13.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.79
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 122666262
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804

Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole (CID 153475508) is 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5[se]c6ccc(-c7cccc(-c8ccc9sc%10ccccc%10c9c8)c7)cc6c5c4)ccc32)cc1.
What is the InChIKey of 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole?
The InChIKey is PEWYKZVUMTVUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NSSe/c1-2-11-36(12-3-1)49-43-15-6-4-13-37(43)39-26-32(17-21-44(39)49)35-20-24-48-42(29-35)41-28-34(19-23-47(41)51-48)31-10-8-9-30(25-31)33-18-22-46-40(27-33)38-14-5-7-16-45(38)50-46/h1-29H.
What are the key properties of 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole?
3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole has a molecular weight of 730.79 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-dibenzothiophen-2-ylphenyl)dibenzoselenophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 153475508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).