2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole

C60H37N3Se — CID 170517955

IUPAC2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2cccc3[se]c4cccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc65)c4c23)cc1
InChIInChI=1S/C60H37N3Se/c1-2-16-38(17-3-1)41-18-4-5-19-42(41)48-24-14-30-57-59(48)60-55(29-15-31-58(60)64-57)63-53-28-13-8-22-45(53)47-34-32-40(37-56(47)63)62-52-27-12-9-23-46(52)49-36-39(33-35-54(49)62)61-50-25-10-6-20-43(50)44-21-7-11-26-51(44)61/h1-37H
InChIKeyNKQFTGLEWIXWNC-UHFFFAOYSA-N
MW878.94 g/mol
LogP15.68
Rot. Bonds5

About 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole

2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole (PubChem CID 170517955) has the molecular formula C60H37N3Se and a molecular weight of 878.94 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole.

Molecular Properties

Compound Name2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole
PubChem CID170517955
Molecular FormulaC60H37N3Se
Molecular Weight878.94 g/mol
Exact Mass879.22
IUPAC Name2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2cccc3[se]c4cccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc65)c4c23)cc1
InChIInChI=1S/C60H37N3Se/c1-2-16-38(17-3-1)41-18-4-5-19-42(41)48-24-14-30-57-59(48)60-55(29-15-31-58(60)64-57)63-53-28-13-8-22-45(53)47-34-32-40(37-56(47)63)62-52-27-12-9-23-46(52)49-36-39(33-35-54(49)62)61-50-25-10-6-20-43(50)44-21-7-11-26-51(44)61/h1-37H
InChIKeyNKQFTGLEWIXWNC-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'}

Analyze 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517893
3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole
CID 170517890
3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170518003
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-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906091
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole
CID 170517810
2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline
CID 176607684
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
11-naphthalen-1-yl-5-(8-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
CID 167157220

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole (CID 170517955) is 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole.
What is the SMILES notation for 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The canonical SMILES for 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole is c1ccc(-c2ccccc2-c2cccc3[se]c4cccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc65)c4c23)cc1.
What is the InChIKey of 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The InChIKey is NKQFTGLEWIXWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3Se/c1-2-16-38(17-3-1)41-18-4-5-19-42(41)48-24-14-30-57-59(48)60-55(29-15-31-58(60)64-57)63-53-28-13-8-22-45(53)47-34-32-40(37-56(47)63)62-52-27-12-9-23-46(52)49-36-39(33-35-54(49)62)61-50-25-10-6-20-43(50)44-21-7-11-26-51(44)61/h1-37H.
What are the key properties of 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-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 2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole is sourced from PubChem (CID 170517955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).