4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde

C27H24FNO2 — CID 19818469

IUPAC4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde
SMILESCOc1ccc(-n2c(-c3ccccc3)c(-c3ccc(F)cc3)c(C=O)c2C(C)C)cc1
InChIInChI=1S/C27H24FNO2/c1-18(2)26-24(17-30)25(19-9-11-21(28)12-10-19)27(20-7-5-4-6-8-20)29(26)22-13-15-23(31-3)16-14-22/h4-18H,1-3H3
InChIKeyWQYDIIFZPCEXDJ-UHFFFAOYSA-N
MW413.49 g/mol
LogP6.89
Rot. Bonds6

About 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde

4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde (PubChem CID 19818469) has the molecular formula C27H24FNO2 and a molecular weight of 413.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde
PubChem CID19818469
Molecular FormulaC27H24FNO2
Molecular Weight413.49 g/mol
Exact Mass413.18
IUPAC Name4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde
SMILESCOc1ccc(-n2c(-c3ccccc3)c(-c3ccc(F)cc3)c(C=O)c2C(C)C)cc1
InChIInChI=1S/C27H24FNO2/c1-18(2)26-24(17-30)25(19-9-11-21(28)12-10-19)27(20-7-5-4-6-8-20)29(26)22-13-15-23(31-3)16-14-22/h4-18H,1-3H3
InChIKeyWQYDIIFZPCEXDJ-UHFFFAOYSA-N
XLogP6.89
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.49
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde
CID 19818488
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
fluorobenzene;4-methoxybenzaldehyde
CID 175119443
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 156773816
propan-2-yl 2-[(7R,9R)-7-[2-[2-(4-fluorophenyl)-4-formyl-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-6,10-dioxaspiro[4.5]decan-9-yl]acetate
CID 89204424
5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
CID 21471309
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1H-imidazol-2-one
CID 24786909
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
4-[2-amino-5-(4-fluorophenyl)-3-methanimidoyl-6-propan-2-ylpyrrolo[2,3-b]pyrazin-7-yl]benzoic acid
CID 155734547
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
2-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-4-carbaldehyde
CID 131955075

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde (CID 19818469) is 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde is COc1ccc(-n2c(-c3ccccc3)c(-c3ccc(F)cc3)c(C=O)c2C(C)C)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde?
The InChIKey is WQYDIIFZPCEXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO2/c1-18(2)26-24(17-30)25(19-9-11-21(28)12-10-19)27(20-7-5-4-6-8-20)29(26)22-13-15-23(31-3)16-14-22/h4-18H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde?
4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde has a molecular weight of 413.49 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde is sourced from PubChem (CID 19818469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).