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

C51H32OSe — CID 159746388

IUPAC2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c3ccccc23)o1
InChIInChI=1S/C51H32OSe/c1-31-29-30-44(52-31)49-39-23-11-9-21-37(39)48(38-22-10-12-24-40(38)49)42-26-13-27-43-50-41(25-14-28-45(50)53-51(42)43)47-35-19-7-5-17-33(35)46(32-15-3-2-4-16-32)34-18-6-8-20-36(34)47/h2-30H,1H3
InChIKeyWQRVFOSWOMFRHC-UHFFFAOYSA-N
MW739.78 g/mol
LogP14.23
Rot. Bonds4

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

2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan (PubChem CID 159746388) has the molecular formula C51H32OSe and a molecular weight of 739.78 g/mol. Its IUPAC name is 2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan.

Molecular Properties

Compound Name2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
PubChem CID159746388
Molecular FormulaC51H32OSe
Molecular Weight739.78 g/mol
Exact Mass740.16
IUPAC Name2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c3ccccc23)o1
InChIInChI=1S/C51H32OSe/c1-31-29-30-44(52-31)49-39-23-11-9-21-37(39)48(38-22-10-12-24-40(38)49)42-26-13-27-43-50-41(25-14-28-45(50)53-51(42)43)47-35-19-7-5-17-33(35)46(32-15-3-2-4-16-32)34-18-6-8-20-36(34)47/h2-30H,1H3
InChIKeyWQRVFOSWOMFRHC-UHFFFAOYSA-N
XLogP14.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.78
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 161168081
2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan
CID 161037729
1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350942
6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 162445713
1-[10-(2-isocyanophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350943
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
1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
CID 158380957
1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159371160
2-phenyl-8-[10-[6-[10-(8-phenyldibenzothiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene
CID 159766777
2-methyl-5-[10-[6-[10-(5-methylthiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 162127231
2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]furan
CID 159161973
9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole
CID 159766778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan?
The IUPAC name of 2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan (CID 159746388) is 2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan.
What is the SMILES notation for 2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan?
The canonical SMILES for 2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan is Cc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c3ccccc23)o1.
What is the InChIKey of 2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan?
The InChIKey is WQRVFOSWOMFRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32OSe/c1-31-29-30-44(52-31)49-39-23-11-9-21-37(39)48(38-22-10-12-24-40(38)49)42-26-13-27-43-50-41(25-14-28-45(50)53-51(42)43)47-35-19-7-5-17-33(35)46(32-15-3-2-4-16-32)34-18-6-8-20-36(34)47/h2-30H,1H3.
What are the key properties of 2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan?
2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan has a molecular weight of 739.78 g/mol, XLogP of 14.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan is sourced from PubChem (CID 159746388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).