3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole

C48H30N2Se — CID 170518003

IUPAC3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)[se]c3cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c34)cc2)cc1
InChIInChI=1S/C48H30N2Se/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)34-25-27-39-47(29-34)51-46-20-10-19-45(48(39)46)50-43-18-9-6-15-38(43)40-30-35(26-28-44(40)50)49-41-16-7-4-13-36(41)37-14-5-8-17-42(37)49/h1-30H
InChIKeyQLGFOPPZMVDJGN-UHFFFAOYSA-N
MW713.74 g/mol
LogP12.58
Rot. Bonds4

About 3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole

3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole (PubChem CID 170518003) has the molecular formula C48H30N2Se and a molecular weight of 713.74 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
PubChem CID170518003
Molecular FormulaC48H30N2Se
Molecular Weight713.74 g/mol
Exact Mass714.16
IUPAC Name3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)[se]c3cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c34)cc2)cc1
InChIInChI=1S/C48H30N2Se/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)34-25-27-39-47(29-34)51-46-20-10-19-45(48(39)46)50-43-18-9-6-15-38(43)40-30-35(26-28-44(40)50)49-41-16-7-4-13-36(41)37-14-5-8-17-42(37)49/h1-30H
InChIKeyQLGFOPPZMVDJGN-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

2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517830
3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517893
3-carbazol-9-yl-9-[9-(3-phenyldibenzoselenophen-1-yl)carbazol-3-yl]carbazole
CID 170517810
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-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
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
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole (CID 170518003) is 3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole is c1ccc(-c2ccc(-c3ccc4c(c3)[se]c3cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c34)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
The InChIKey is QLGFOPPZMVDJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2Se/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)34-25-27-39-47(29-34)51-46-20-10-19-45(48(39)46)50-43-18-9-6-15-38(43)40-30-35(26-28-44(40)50)49-41-16-7-4-13-36(41)37-14-5-8-17-42(37)49/h1-30H.
What are the key properties of 3-carbazol-9-yl-9-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole?
3-carbazol-9-yl-9-[7-(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-[7-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole is sourced from PubChem (CID 170518003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).