2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde

C42H38F2OSe2 — CID 158232753

IUPAC2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde
SMILESCCCC=Cc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)[se]1.CCc1ccc(-c2ccc(-c3ccc(C=O)[se]3)c(F)c2)cc1
InChIInChI=1S/C23H23FSe.C19H15FOSe/c1-3-5-6-7-20-13-15-23(25-20)21-14-12-19(16-22(21)24)18-10-8-17(4-2)9-11-18;1-2-13-3-5-14(6-4-13)15-7-9-17(18(20)11-15)19-10-8-16(12-21)22-19/h6-16H,3-5H2,1-2H3;3-12H,2H2,1H3
InChIKeyGEOUZOSLVPVONC-UHFFFAOYSA-N
MW754.68 g/mol
LogP11.18
Rot. Bonds10

About 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde

2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde (PubChem CID 158232753) has the molecular formula C42H38F2OSe2 and a molecular weight of 754.68 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde
PubChem CID158232753
Molecular FormulaC42H38F2OSe2
Molecular Weight754.68 g/mol
Exact Mass756.12
IUPAC Name2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde
SMILESCCCC=Cc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)[se]1.CCc1ccc(-c2ccc(-c3ccc(C=O)[se]3)c(F)c2)cc1
InChIInChI=1S/C23H23FSe.C19H15FOSe/c1-3-5-6-7-20-13-15-23(25-20)21-14-12-19(16-22(21)24)18-10-8-17(4-2)9-11-18;1-2-13-3-5-14(6-4-13)15-7-9-17(18(20)11-15)19-10-8-16(12-21)22-19/h6-16H,3-5H2,1-2H3;3-12H,2H2,1H3
InChIKeyGEOUZOSLVPVONC-UHFFFAOYSA-N
XLogP11.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.68
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385
1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene
CID 58953402
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 144644200
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247520
4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene
CID 140891747
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
CID 67798587
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 161078313
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
2-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
CID 143775701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde?
The IUPAC name of 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde (CID 158232753) is 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde?
The canonical SMILES for 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde is CCCC=Cc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)[se]1.CCc1ccc(-c2ccc(-c3ccc(C=O)[se]3)c(F)c2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde?
The InChIKey is GEOUZOSLVPVONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FSe.C19H15FOSe/c1-3-5-6-7-20-13-15-23(25-20)21-14-12-19(16-22(21)24)18-10-8-17(4-2)9-11-18;1-2-13-3-5-14(6-4-13)15-7-9-17(18(20)11-15)19-10-8-16(12-21)22-19/h6-16H,3-5H2,1-2H3;3-12H,2H2,1H3.
What are the key properties of 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde?
2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde has a molecular weight of 754.68 g/mol, XLogP of 11.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-pent-1-enylselenophene;5-[4-(4-ethylphenyl)-2-fluorophenyl]selenophene-2-carbaldehyde is sourced from PubChem (CID 158232753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).