1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene

C39H33FO — CID 175542681

IUPAC1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene
SMILESO=Cc1ccccc1F.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C18H14.C14H14.C7H5FO/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;8-7-4-2-1-3-6(7)5-9/h1-14H;1-10H,11-12H2;1-5H
InChIKeyIOPWQWSUVDSLQC-UHFFFAOYSA-N
MW536.69 g/mol
LogP10.13
Rot. Bonds6

About 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene

1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene (PubChem CID 175542681) has the molecular formula C39H33FO and a molecular weight of 536.69 g/mol. Its IUPAC name is 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene.

Molecular Properties

Compound Name1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene
PubChem CID175542681
Molecular FormulaC39H33FO
Molecular Weight536.69 g/mol
Exact Mass536.25
IUPAC Name1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene
SMILESO=Cc1ccccc1F.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C18H14.C14H14.C7H5FO/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;8-7-4-2-1-3-6(7)5-9/h1-14H;1-10H,11-12H2;1-5H
InChIKeyIOPWQWSUVDSLQC-UHFFFAOYSA-N
XLogP10.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.69
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbenzaldehyde;2-phenylethanamine
CID 23291840
2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde
CID 89323334
5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068
1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene
CID 174588625
1,1-dimethoxyethane;2-fluorobenzaldehyde
CID 88679380
benzene;2-phenylethylbenzene
CID 18982764
(4Z)-4-[(2-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136893590
3-[4-(2-fluorophenyl)phenyl]propanal
CID 57240259
2-hydroxy-5-(2-phenylethyl)benzaldehyde
CID 101003215
2-fluorobenzaldehyde;N,N',N'-trimethylethane-1,2-diamine
CID 157438694
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene
CID 163699414
hafnium;2-phenylethylbenzene
CID 173109801

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene?
The IUPAC name of 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene (CID 175542681) is 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene.
What is the SMILES notation for 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene?
The canonical SMILES for 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene is O=Cc1ccccc1F.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene?
The InChIKey is IOPWQWSUVDSLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C14H14.C7H5FO/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;8-7-4-2-1-3-6(7)5-9/h1-14H;1-10H,11-12H2;1-5H.
What are the key properties of 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene?
1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene has a molecular weight of 536.69 g/mol, XLogP of 10.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene is sourced from PubChem (CID 175542681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).