[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid

C24H17FNO3P — CID 177244522

IUPAC[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2cccc(-n3c4ccccc4c4ccc(F)cc43)c2)c1
InChIInChI=1S/C24H17FNO3P/c25-18-11-12-22-21-9-1-2-10-23(21)26(24(22)15-18)19-7-3-5-16(13-19)17-6-4-8-20(14-17)30(27,28)29/h1-15H,(H2,27,28,29)
InChIKeyYCEKLTTZNSSXTB-UHFFFAOYSA-N
MW417.38 g/mol
LogP5.39
Rot. Bonds3

About [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid

[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid (PubChem CID 177244522) has the molecular formula C24H17FNO3P and a molecular weight of 417.38 g/mol. Its IUPAC name is [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
PubChem CID177244522
Molecular FormulaC24H17FNO3P
Molecular Weight417.38 g/mol
Exact Mass417.09
IUPAC Name[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2cccc(-n3c4ccccc4c4ccc(F)cc43)c2)c1
InChIInChI=1S/C24H17FNO3P/c25-18-11-12-22-21-9-1-2-10-23(21)26(24(22)15-18)19-7-3-5-16(13-19)17-6-4-8-20(14-17)30(27,28)29/h1-15H,(H2,27,28,29)
InChIKeyYCEKLTTZNSSXTB-UHFFFAOYSA-N
XLogP5.39
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244499
[3-[4-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244417
[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244545
[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244570
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
[3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244586
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244626
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-fluorocarbazole
CID 58750647
[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
CID 178181472

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The IUPAC name of [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid (CID 177244522) is [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid.
What is the SMILES notation for [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The canonical SMILES for [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid is O=P(O)(O)c1cccc(-c2cccc(-n3c4ccccc4c4ccc(F)cc43)c2)c1.
What is the InChIKey of [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The InChIKey is YCEKLTTZNSSXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FNO3P/c25-18-11-12-22-21-9-1-2-10-23(21)26(24(22)15-18)19-7-3-5-16(13-19)17-6-4-8-20(14-17)30(27,28)29/h1-15H,(H2,27,28,29).
What are the key properties of [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid has a molecular weight of 417.38 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid is sourced from PubChem (CID 177244522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).