7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline

C58H34N2Se — CID 160581170

IUPAC7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline
SMILESc1cnc2cc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8cccnc8c7)c7ccccc67)c45)c4ccccc34)ccc2c1
InChIInChI=1S/C58H34N2Se/c1-5-19-43-39(15-1)53(37-29-27-35-13-11-31-59-50(35)33-37)40-16-2-6-20-44(40)55(43)47-23-10-26-52-57(47)49-25-9-24-48(58(49)61-52)56-45-21-7-3-17-41(45)54(42-18-4-8-22-46(42)56)38-30-28-36-14-12-32-60-51(36)34-38/h1-34H
InChIKeyWKJVQXGRMGBILO-UHFFFAOYSA-N
MW837.88 g/mol
LogP15.43
Rot. Bonds4

About 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline

7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline (PubChem CID 160581170) has the molecular formula C58H34N2Se and a molecular weight of 837.88 g/mol. Its IUPAC name is 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline.

Molecular Properties

Compound Name7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline
PubChem CID160581170
Molecular FormulaC58H34N2Se
Molecular Weight837.88 g/mol
Exact Mass838.19
IUPAC Name7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline
SMILESc1cnc2cc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8cccnc8c7)c7ccccc67)c45)c4ccccc34)ccc2c1
InChIInChI=1S/C58H34N2Se/c1-5-19-43-39(15-1)53(37-29-27-35-13-11-31-59-50(35)33-37)40-16-2-6-20-44(40)55(43)47-23-10-26-52-57(47)49-25-9-24-48(58(49)61-52)56-45-21-7-3-17-41(45)54(42-18-4-8-22-46(42)56)38-30-28-36-14-12-32-60-51(36)34-38/h1-34H
InChIKeyWKJVQXGRMGBILO-UHFFFAOYSA-N
XLogP15.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.88
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline with MolForge

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Related Compounds

1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
CID 158380957
7-(10-quinolin-7-ylanthracen-9-yl)quinoline
CID 167164576
2-phenyl-8-[10-[6-[10-(8-phenyldibenzothiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene
CID 159766777
6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 162445713
1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350942
9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole
CID 159766778
3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158253863
1-[10-(2-isocyanophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350943
2-methyl-5-[10-[6-[10-(5-methylthiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 162127231
3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine
CID 160703735
7-(10-phenyl-9-pyridin-3-ylfluoranthen-7-yl)quinoline
CID 59318982
6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048

Frequently Asked Questions

What is the IUPAC name of 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline?
The IUPAC name of 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline (CID 160581170) is 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline.
What is the SMILES notation for 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline?
The canonical SMILES for 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline is c1cnc2cc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8cccnc8c7)c7ccccc67)c45)c4ccccc34)ccc2c1.
What is the InChIKey of 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline?
The InChIKey is WKJVQXGRMGBILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2Se/c1-5-19-43-39(15-1)53(37-29-27-35-13-11-31-59-50(35)33-37)40-16-2-6-20-44(40)55(43)47-23-10-26-52-57(47)49-25-9-24-48(58(49)61-52)56-45-21-7-3-17-41(45)54(42-18-4-8-22-46(42)56)38-30-28-36-14-12-32-60-51(36)34-38/h1-34H.
What are the key properties of 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline?
7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline has a molecular weight of 837.88 g/mol, XLogP of 15.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline is sourced from PubChem (CID 160581170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).