(2-carbazol-9-yl-2-deuterioethyl)phosphonic acid

C14H14NO3P — CID 175914525

IUPAC(2-carbazol-9-yl-2-deuterioethyl)phosphonic acid
SMILES[2H]C(CP(=O)(O)O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C14H14NO3P/c16-19(17,18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8H,9-10H2,(H2,16,17,18)/i9D
InChIKeyKIMPAVBWSFLENS-QOWOAITPSA-N
MW276.25 g/mol
LogP2.97
Rot. Bonds3

About (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid

(2-carbazol-9-yl-2-deuterioethyl)phosphonic acid (PubChem CID 175914525) has the molecular formula C14H14NO3P and a molecular weight of 276.25 g/mol. Its IUPAC name is (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid.

Molecular Properties

Compound Name(2-carbazol-9-yl-2-deuterioethyl)phosphonic acid
PubChem CID175914525
Molecular FormulaC14H14NO3P
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name(2-carbazol-9-yl-2-deuterioethyl)phosphonic acid
SMILES[2H]C(CP(=O)(O)O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C14H14NO3P/c16-19(17,18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8H,9-10H2,(H2,16,17,18)/i9D
InChIKeyKIMPAVBWSFLENS-QOWOAITPSA-N
XLogP2.97
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.97
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

2-carbazol-9-ylethylphosphonic acid
CID 154704302
CID 173007815
CID 173007815
2-carbazol-9-yl-N,N-dipropylacetamide
CID 14874688
9-ethylcarbazole-3-carboxylic acid
CID 4912869
carbazol-9-ylmethylphosphane
CID 90324544
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
9-ethylcarbazole-3-carboxylate
CID 7148416
(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate
CID 139216427
carbazol-9-ylmethyl propanoate
CID 122502701
9H-carbazole;9-ethylcarbazole
CID 159391034
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067

Frequently Asked Questions

What is the IUPAC name of (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid?
The IUPAC name of (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid (CID 175914525) is (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid.
What is the SMILES notation for (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid?
The canonical SMILES for (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid is [2H]C(CP(=O)(O)O)n1c2ccccc2c2ccccc21.
What is the InChIKey of (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid?
The InChIKey is KIMPAVBWSFLENS-QOWOAITPSA-N. The full InChI is InChI=1S/C14H14NO3P/c16-19(17,18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8H,9-10H2,(H2,16,17,18)/i9D.
What are the key properties of (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid?
(2-carbazol-9-yl-2-deuterioethyl)phosphonic acid has a molecular weight of 276.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbazol-9-yl-2-deuterioethyl)phosphonic acid is sourced from PubChem (CID 175914525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).