9,9-diphenylfluorene-1-carboxylic acid

C26H18O2 — CID 140854429

IUPAC9,9-diphenylfluorene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C26H18O2/c27-25(28)22-16-9-15-21-20-14-7-8-17-23(20)26(24(21)22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H,(H,27,28)
InChIKeyKEEWHOOAHJCDJR-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.75
Rot. Bonds3

About 9,9-diphenylfluorene-1-carboxylic acid

9,9-diphenylfluorene-1-carboxylic acid (PubChem CID 140854429) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 9,9-diphenylfluorene-1-carboxylic acid.

Molecular Properties

Compound Name9,9-diphenylfluorene-1-carboxylic acid
PubChem CID140854429
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name9,9-diphenylfluorene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C26H18O2/c27-25(28)22-16-9-15-21-20-14-7-8-17-23(20)26(24(21)22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H,(H,27,28)
InChIKeyKEEWHOOAHJCDJR-UHFFFAOYSA-N
XLogP5.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[9-[4-(2,3-dicarboxyphenyl)phenyl]fluoren-9-yl]phenyl]phthalic acid
CID 174656697
1-fluoro-9,9-diphenylfluorene
CID 170080544
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511
1-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 144907616
bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 90059622
1-(4-bromophenyl)-9,9-diphenylfluorene
CID 172845574
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
CID 159307684

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenylfluorene-1-carboxylic acid?
The IUPAC name of 9,9-diphenylfluorene-1-carboxylic acid (CID 140854429) is 9,9-diphenylfluorene-1-carboxylic acid.
What is the SMILES notation for 9,9-diphenylfluorene-1-carboxylic acid?
The canonical SMILES for 9,9-diphenylfluorene-1-carboxylic acid is O=C(O)c1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 9,9-diphenylfluorene-1-carboxylic acid?
The InChIKey is KEEWHOOAHJCDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c27-25(28)22-16-9-15-21-20-14-7-8-17-23(20)26(24(21)22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H,(H,27,28).
What are the key properties of 9,9-diphenylfluorene-1-carboxylic acid?
9,9-diphenylfluorene-1-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenylfluorene-1-carboxylic acid is sourced from PubChem (CID 140854429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).