1,2-diphenyl-9H-fluorene;propanoic acid

C31H30O4 — CID 174827621

IUPAC1,2-diphenyl-9H-fluorene;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.c1ccc(-c2ccc3c(c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H18.2C3H6O2/c1-3-9-18(10-4-1)22-15-16-23-21-14-8-7-13-20(21)17-24(23)25(22)19-11-5-2-6-12-19;2*1-2-3(4)5/h1-16H,17H2;2*2H2,1H3,(H,4,5)
InChIKeyMRNGEQVXEJGBAP-UHFFFAOYSA-N
MW466.58 g/mol
LogP7.55
Rot. Bonds4

About 1,2-diphenyl-9H-fluorene;propanoic acid

1,2-diphenyl-9H-fluorene;propanoic acid (PubChem CID 174827621) has the molecular formula C31H30O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 1,2-diphenyl-9H-fluorene;propanoic acid.

Molecular Properties

Compound Name1,2-diphenyl-9H-fluorene;propanoic acid
PubChem CID174827621
Molecular FormulaC31H30O4
Molecular Weight466.58 g/mol
Exact Mass466.21
IUPAC Name1,2-diphenyl-9H-fluorene;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.c1ccc(-c2ccc3c(c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H18.2C3H6O2/c1-3-9-18(10-4-1)22-15-16-23-21-14-8-7-13-20(21)17-24(23)25(22)19-11-5-2-6-12-19;2*1-2-3(4)5/h1-16H,17H2;2*2H2,1H3,(H,4,5)
InChIKeyMRNGEQVXEJGBAP-UHFFFAOYSA-N
XLogP7.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2-diphenyl-9H-fluorene;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
9H-fluorene;propanoic acid
CID 67831567
ethane;9H-fluorene;propanoic acid
CID 90836645
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
2-butyl-1-phenyl-9H-fluorene
CID 154085968
1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane
CID 174986873
1,2-bis(4-octadecylphenyl)-9H-fluorene
CID 150394649
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 141135954
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-9H-fluorene;propanoic acid?
The IUPAC name of 1,2-diphenyl-9H-fluorene;propanoic acid (CID 174827621) is 1,2-diphenyl-9H-fluorene;propanoic acid.
What is the SMILES notation for 1,2-diphenyl-9H-fluorene;propanoic acid?
The canonical SMILES for 1,2-diphenyl-9H-fluorene;propanoic acid is CCC(=O)O.CCC(=O)O.c1ccc(-c2ccc3c(c2-c2ccccc2)Cc2ccccc2-3)cc1.
What is the InChIKey of 1,2-diphenyl-9H-fluorene;propanoic acid?
The InChIKey is MRNGEQVXEJGBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.2C3H6O2/c1-3-9-18(10-4-1)22-15-16-23-21-14-8-7-13-20(21)17-24(23)25(22)19-11-5-2-6-12-19;2*1-2-3(4)5/h1-16H,17H2;2*2H2,1H3,(H,4,5).
What are the key properties of 1,2-diphenyl-9H-fluorene;propanoic acid?
1,2-diphenyl-9H-fluorene;propanoic acid has a molecular weight of 466.58 g/mol, XLogP of 7.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-9H-fluorene;propanoic acid is sourced from PubChem (CID 174827621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).