3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole

C42H26N2Se — CID 170518038

IUPAC3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
SMILESc1ccc(-c2cccc3[se]c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4c23)cc1
InChIInChI=1S/C42H26N2Se/c1-2-12-27(13-3-1)29-17-10-22-39-41(29)42-38(21-11-23-40(42)45-39)44-36-20-9-6-16-32(36)33-26-28(24-25-37(33)44)43-34-18-7-4-14-30(34)31-15-5-8-19-35(31)43/h1-26H
InChIKeyYVLUCHJBHXAFEM-UHFFFAOYSA-N
MW637.64 g/mol
LogP10.91
Rot. Bonds3

About 3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole

3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole (PubChem CID 170518038) has the molecular formula C42H26N2Se and a molecular weight of 637.64 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
PubChem CID170518038
Molecular FormulaC42H26N2Se
Molecular Weight637.64 g/mol
Exact Mass638.13
IUPAC Name3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
SMILESc1ccc(-c2cccc3[se]c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4c23)cc1
InChIInChI=1S/C42H26N2Se/c1-2-12-27(13-3-1)29-17-10-22-39-41(29)42-38(21-11-23-40(42)45-39)44-36-20-9-6-16-32(36)33-26-28(24-25-37(33)44)43-34-18-7-4-14-30(34)31-15-5-8-19-35(31)43/h1-26H
InChIKeyYVLUCHJBHXAFEM-UHFFFAOYSA-N
XLogP10.91
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.64
LogP ≤ 510.91
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-(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-[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
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
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-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline
CID 176607684
2-carbazol-9-yl-9-[7-(3-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517830
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole
CID 149305333

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole (CID 170518038) is 3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole is c1ccc(-c2cccc3[se]c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4c23)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole?
The InChIKey is YVLUCHJBHXAFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2Se/c1-2-12-27(13-3-1)29-17-10-22-39-41(29)42-38(21-11-23-40(42)45-39)44-36-20-9-6-16-32(36)33-26-28(24-25-37(33)44)43-34-18-7-4-14-30(34)31-15-5-8-19-35(31)43/h1-26H.
What are the key properties of 3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole?
3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole has a molecular weight of 637.64 g/mol, XLogP of 10.91, 3 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-phenyldibenzoselenophen-1-yl)carbazole is sourced from PubChem (CID 170518038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).