3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene

C50H30SSe — CID 157215852

IUPAC3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4[se]c5cccc(-c6c7ccccc7c(-c7ccsc7)c7ccccc67)c5c34)c3ccccc23)cc1
InChIInChI=1S/C50H30SSe/c1-2-14-31(15-3-1)45-33-16-4-8-20-37(33)47(38-21-9-5-17-34(38)45)41-24-12-26-43-49(41)50-42(25-13-27-44(50)52-43)48-39-22-10-6-18-35(39)46(32-28-29-51-30-32)36-19-7-11-23-40(36)48/h1-30H
InChIKeyXMIWYQNKRJSTLX-UHFFFAOYSA-N
MW741.82 g/mol
LogP14.39
Rot. Bonds4

About 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene

3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene (PubChem CID 157215852) has the molecular formula C50H30SSe and a molecular weight of 741.82 g/mol. Its IUPAC name is 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene.

Molecular Properties

Compound Name3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
PubChem CID157215852
Molecular FormulaC50H30SSe
Molecular Weight741.82 g/mol
Exact Mass742.12
IUPAC Name3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4[se]c5cccc(-c6c7ccccc7c(-c7ccsc7)c7ccccc67)c5c34)c3ccccc23)cc1
InChIInChI=1S/C50H30SSe/c1-2-14-31(15-3-1)45-33-16-4-8-20-37(33)47(38-21-9-5-17-34(38)45)41-24-12-26-43-49(41)50-42(25-13-27-44(50)52-43)48-39-22-10-6-18-35(39)46(32-28-29-51-30-32)36-19-7-11-23-40(36)48/h1-30H
InChIKeyXMIWYQNKRJSTLX-UHFFFAOYSA-N
XLogP14.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.82
LogP ≤ 514.39
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

1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159371160
3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene
CID 102231127
9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906088
9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906091
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
3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane
CID 174411937
1-[10-(2-isocyanophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350943
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine
CID 160703735
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833

Frequently Asked Questions

What is the IUPAC name of 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene?
The IUPAC name of 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene (CID 157215852) is 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene.
What is the SMILES notation for 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene?
The canonical SMILES for 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene is c1ccc(-c2c3ccccc3c(-c3cccc4[se]c5cccc(-c6c7ccccc7c(-c7ccsc7)c7ccccc67)c5c34)c3ccccc23)cc1.
What is the InChIKey of 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene?
The InChIKey is XMIWYQNKRJSTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30SSe/c1-2-14-31(15-3-1)45-33-16-4-8-20-37(33)47(38-21-9-5-17-34(38)45)41-24-12-26-43-49(41)50-42(25-13-27-44(50)52-43)48-39-22-10-6-18-35(39)46(32-28-29-51-30-32)36-19-7-11-23-40(36)48/h1-30H.
What are the key properties of 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene?
3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene has a molecular weight of 741.82 g/mol, XLogP of 14.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene is sourced from PubChem (CID 157215852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).