2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene

C153H96O2SSe3 — CID 161186014

IUPAC2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)c3ccccc23)o1.Cc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)c3ccccc23)s1.Cc1cocc1-c1c2ccccc2c(-c2cccc3c2[se]c2cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc23)c2ccccc12
InChIInChI=1S/2C51H32OSe.C51H32SSe/c1-31-26-29-45(52-31)50-41-22-11-9-20-39(41)49(40-21-10-12-23-42(40)50)44-25-13-24-43-34-28-27-33(30-46(34)53-51(43)44)48-37-18-7-5-16-35(37)47(32-14-3-2-4-15-32)36-17-6-8-19-38(36)48;1-31-29-52-30-45(31)50-41-22-11-9-20-39(41)49(40-21-10-12-23-42(40)50)44-25-13-24-43-34-27-26-33(28-46(34)53-51(43)44)48-37-18-7-5-16-35(37)47(32-14-3-2-4-15-32)36-17-6-8-19-38(36)48;1-31-26-29-45(52-31)50-41-22-11-9-20-39(41)49(40-21-10-12-23-42(40)50)44-25-13-24-43-34-28-27-33(30-46(34)53-51(43)44)48-37-18-7-5-16-35(37)47(32-14-3-2-4-15-32)36-17-6-8-19-38(36)48/h3*2-30H,1H3
InChIKeyUTBXHIWHCKREEG-UHFFFAOYSA-N
MW2235.40 g/mol
LogP43.17
Rot. Bonds12

About 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene

2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene (PubChem CID 161186014) has the molecular formula C153H96O2SSe3 and a molecular weight of 2235.40 g/mol. Its IUPAC name is 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene
PubChem CID161186014
Molecular FormulaC153H96O2SSe3
Molecular Weight2235.40 g/mol
Exact Mass2236.46
IUPAC Name2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)c3ccccc23)o1.Cc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)c3ccccc23)s1.Cc1cocc1-c1c2ccccc2c(-c2cccc3c2[se]c2cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc23)c2ccccc12
InChIInChI=1S/2C51H32OSe.C51H32SSe/c1-31-26-29-45(52-31)50-41-22-11-9-20-39(41)49(40-21-10-12-23-42(40)50)44-25-13-24-43-34-28-27-33(30-46(34)53-51(43)44)48-37-18-7-5-16-35(37)47(32-14-3-2-4-15-32)36-17-6-8-19-38(36)48;1-31-29-52-30-45(31)50-41-22-11-9-20-39(41)49(40-21-10-12-23-42(40)50)44-25-13-24-43-34-27-26-33(28-46(34)53-51(43)44)48-37-18-7-5-16-35(37)47(32-14-3-2-4-15-32)36-17-6-8-19-38(36)48;1-31-26-29-45(52-31)50-41-22-11-9-20-39(41)49(40-21-10-12-23-42(40)50)44-25-13-24-43-34-28-27-33(30-46(34)53-51(43)44)48-37-18-7-5-16-35(37)47(32-14-3-2-4-15-32)36-17-6-8-19-38(36)48/h3*2-30H,1H3
InChIKeyUTBXHIWHCKREEG-UHFFFAOYSA-N
XLogP43.17
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002235.40
LogP ≤ 543.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene with MolForge

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Related Compounds

7-[10-(4-methylfuran-3-yl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;7-[10-(5-methylfuran-2-yl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;7-[10-(4-methylthiophen-3-yl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;7-[10-(5-methylthiophen-2-yl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 161334563
2-methyl-5-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 161168081
2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 159746388
2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]furan
CID 159161973
2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan
CID 161037729
3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
CID 162445716
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]dibenzothiophene
CID 161388105
3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158253863
2-methyl-5-[10-[6-[10-(5-methylthiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 162127231
6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159872213
2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 161194508
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene
CID 157493186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene?
The IUPAC name of 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene (CID 161186014) is 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene.
What is the SMILES notation for 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene?
The canonical SMILES for 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene is Cc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)c3ccccc23)o1.Cc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)c3ccccc23)s1.Cc1cocc1-c1c2ccccc2c(-c2cccc3c2[se]c2cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc23)c2ccccc12.
What is the InChIKey of 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene?
The InChIKey is UTBXHIWHCKREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H32OSe.C51H32SSe/c1-31-26-29-45(52-31)50-41-22-11-9-20-39(41)49(40-21-10-12-23-42(40)50)44-25-13-24-43-34-28-27-33(30-46(34)53-51(43)44)48-37-18-7-5-16-35(37)47(32-14-3-2-4-15-32)36-17-6-8-19-38(36)48;1-31-29-52-30-45(31)50-41-22-11-9-20-39(41)49(40-21-10-12-23-42(40)50)44-25-13-24-43-34-27-26-33(28-46(34)53-51(43)44)48-37-18-7-5-16-35(37)47(32-14-3-2-4-15-32)36-17-6-8-19-38(36)48;1-31-26-29-45(52-31)50-41-22-11-9-20-39(41)49(40-21-10-12-23-42(40)50)44-25-13-24-43-34-28-27-33(30-46(34)53-51(43)44)48-37-18-7-5-16-35(37)47(32-14-3-2-4-15-32)36-17-6-8-19-38(36)48/h3*2-30H,1H3.
What are the key properties of 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene?
2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene has a molecular weight of 2235.40 g/mol, XLogP of 43.17, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-methyl-4-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene is sourced from PubChem (CID 161186014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).