6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene

C52H38Se — CID 157102441

IUPAC6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4[se]c5c(-c6c7ccccc7c(C7CCCCC7)c7ccccc67)cccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C52H38Se/c1-3-16-33(17-4-1)48-36-20-7-9-22-38(36)50(39-23-10-8-21-37(39)48)35-30-31-47-46(32-35)44-28-15-29-45(52(44)53-47)51-42-26-13-11-24-40(42)49(34-18-5-2-6-19-34)41-25-12-14-27-43(41)51/h1,3-4,7-17,20-32,34H,2,5-6,18-19H2
InChIKeyIPSXDXXXMNYSPL-UHFFFAOYSA-N
MW741.84 g/mol
LogP14.71
Rot. Bonds4

About 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene

6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene (PubChem CID 157102441) has the molecular formula C52H38Se and a molecular weight of 741.84 g/mol. Its IUPAC name is 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene.

Molecular Properties

Compound Name6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
PubChem CID157102441
Molecular FormulaC52H38Se
Molecular Weight741.84 g/mol
Exact Mass742.21
IUPAC Name6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4[se]c5c(-c6c7ccccc7c(C7CCCCC7)c7ccccc67)cccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C52H38Se/c1-3-16-33(17-4-1)48-36-20-7-9-22-38(36)50(39-23-10-8-21-37(39)48)35-30-31-47-46(32-35)44-28-15-29-45(52(44)53-47)51-42-26-13-11-24-40(42)49(34-18-5-2-6-19-34)41-25-12-14-27-43(41)51/h1,3-4,7-17,20-32,34H,2,5-6,18-19H2
InChIKeyIPSXDXXXMNYSPL-UHFFFAOYSA-N
XLogP14.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.84
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048
2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 161194508
2,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene
CID 160966210
2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran
CID 158658340
[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl] nitrate
CID 168748463
2-methyl-5-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 161168081
3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158253863
3-[10-(2-adamantyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene;3-(10-tert-butylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene;3-(10-cyclohexylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene;bis(3-(10-methylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene);3-(10-nitroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157303542
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]dibenzothiophene
CID 161388105
2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene
CID 58323521
6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159872213
3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
CID 162445716

Frequently Asked Questions

What is the IUPAC name of 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene?
The IUPAC name of 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene (CID 157102441) is 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene.
What is the SMILES notation for 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene?
The canonical SMILES for 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene is c1ccc(-c2c3ccccc3c(-c3ccc4[se]c5c(-c6c7ccccc7c(C7CCCCC7)c7ccccc67)cccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene?
The InChIKey is IPSXDXXXMNYSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38Se/c1-3-16-33(17-4-1)48-36-20-7-9-22-38(36)50(39-23-10-8-21-37(39)48)35-30-31-47-46(32-35)44-28-15-29-45(52(44)53-47)51-42-26-13-11-24-40(42)49(34-18-5-2-6-19-34)41-25-12-14-27-43(41)51/h1,3-4,7-17,20-32,34H,2,5-6,18-19H2.
What are the key properties of 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene?
6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene has a molecular weight of 741.84 g/mol, XLogP of 14.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene is sourced from PubChem (CID 157102441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).