3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole

C60H37N3Se — CID 170517890

IUPAC3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c3[se]c3cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)ccc65)c34)cc2)cc1
InChIInChI=1S/C60H37N3Se/c1-2-14-38(15-3-1)39-28-30-40(31-29-39)43-20-12-21-48-59-57(26-13-27-58(59)64-60(43)48)63-54-25-11-7-19-47(54)50-37-42(33-35-56(50)63)62-53-24-10-6-18-46(53)49-36-41(32-34-55(49)62)61-51-22-8-4-16-44(51)45-17-5-9-23-52(45)61/h1-37H
InChIKeyIXWLDYCHNLFZAU-UHFFFAOYSA-N
MW878.94 g/mol
LogP15.68
Rot. Bonds5

About 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole

3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole (PubChem CID 170517890) has the molecular formula C60H37N3Se and a molecular weight of 878.94 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole
PubChem CID170517890
Molecular FormulaC60H37N3Se
Molecular Weight878.94 g/mol
Exact Mass879.22
IUPAC Name3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c3[se]c3cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)ccc65)c34)cc2)cc1
InChIInChI=1S/C60H37N3Se/c1-2-14-38(15-3-1)39-28-30-40(31-29-39)43-20-12-21-48-59-57(26-13-27-58(59)64-60(43)48)63-54-25-11-7-19-47(54)50-37-42(33-35-56(50)63)62-53-24-10-6-18-46(53)49-36-41(32-34-55(49)62)61-51-22-8-4-16-44(51)45-17-5-9-23-52(45)61/h1-37H
InChIKeyIXWLDYCHNLFZAU-UHFFFAOYSA-N
XLogP15.68
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.94
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517893
3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170518003
2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517955
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
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-[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
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161451910

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole (CID 170517890) is 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole is c1ccc(-c2ccc(-c3cccc4c3[se]c3cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)ccc65)c34)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole?
The InChIKey is IXWLDYCHNLFZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3Se/c1-2-14-38(15-3-1)39-28-30-40(31-29-39)43-20-12-21-48-59-57(26-13-27-58(59)64-60(43)48)63-54-25-11-7-19-47(54)50-37-42(33-35-56(50)63)62-53-24-10-6-18-46(53)49-36-41(32-34-55(49)62)61-51-22-8-4-16-44(51)45-17-5-9-23-52(45)61/h1-37H.
What are the key properties of 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole?
3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole has a molecular weight of 878.94 g/mol, XLogP of 15.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 170517890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).