2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole

C48H30N2Se — CID 170517830

IUPAC2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)[se]c3cccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c34)c2)cc1
InChIInChI=1S/C48H30N2Se/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-26-40-47(29-34)51-46-23-11-22-44(48(40)46)50-43-21-9-6-18-38(43)39-27-25-35(30-45(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H
InChIKeyLOKSRKQXWQAVNG-UHFFFAOYSA-N
MW713.74 g/mol
LogP12.58
Rot. Bonds4

About 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole

2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole (PubChem CID 170517830) has the molecular formula C48H30N2Se and a molecular weight of 713.74 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole
PubChem CID170517830
Molecular FormulaC48H30N2Se
Molecular Weight713.74 g/mol
Exact Mass714.16
IUPAC Name2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)[se]c3cccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c34)c2)cc1
InChIInChI=1S/C48H30N2Se/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-26-40-47(29-34)51-46-23-11-22-44(48(40)46)50-43-21-9-6-18-38(43)39-27-25-35(30-45(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H
InChIKeyLOKSRKQXWQAVNG-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-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170518003
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517893
2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517955
3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole
CID 170517810
3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole
CID 170517890
3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165075312
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659751
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole (CID 170517830) is 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole is c1ccc(-c2cccc(-c3ccc4c(c3)[se]c3cccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c34)c2)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The InChIKey is LOKSRKQXWQAVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2Se/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-26-40-47(29-34)51-46-23-11-22-44(48(40)46)50-43-21-9-6-18-38(43)39-27-25-35(30-45(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H.
What are the key properties of 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
2-carbazol-9-yl-9-[7-(3-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 2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole is sourced from PubChem (CID 170517830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).