3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole

C48H30N2Se — CID 170517893

IUPAC3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4[se]c5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5c34)cc2)cc1
InChIInChI=1S/C48H30N2Se/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-17-10-22-45-47(35)48-44(21-11-23-46(48)51-45)50-42-20-9-6-16-38(42)39-30-34(28-29-43(39)50)49-40-18-7-4-14-36(40)37-15-5-8-19-41(37)49/h1-30H
InChIKeyWDFBZCOCZHMLOW-UHFFFAOYSA-N
MW713.74 g/mol
LogP12.58
Rot. Bonds4

About 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole

3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole (PubChem CID 170517893) has the molecular formula C48H30N2Se and a molecular weight of 713.74 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
PubChem CID170517893
Molecular FormulaC48H30N2Se
Molecular Weight713.74 g/mol
Exact Mass714.16
IUPAC Name3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4[se]c5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5c34)cc2)cc1
InChIInChI=1S/C48H30N2Se/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-17-10-22-45-47(35)48-44(21-11-23-46(48)51-45)50-42-20-9-6-16-38(42)39-30-34(28-29-43(39)50)49-40-18-7-4-14-36(40)37-15-5-8-19-41(37)49/h1-30H
InChIKeyWDFBZCOCZHMLOW-UHFFFAOYSA-N
XLogP12.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.74
LogP ≤ 512.58
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-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole
CID 170517890
2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517955
3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170518003
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole
CID 170517810
2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517830
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole
CID 149305333
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole (CID 170517893) is 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole is c1ccc(-c2ccc(-c3cccc4[se]c5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5c34)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The InChIKey is WDFBZCOCZHMLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2Se/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-17-10-22-45-47(35)48-44(21-11-23-46(48)51-45)50-42-20-9-6-16-38(42)39-30-34(28-29-43(39)50)49-40-18-7-4-14-36(40)37-15-5-8-19-41(37)49/h1-30H.
What are the key properties of 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole has a molecular weight of 713.74 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole is sourced from PubChem (CID 170517893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).