[4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid

C20H18NO3P — CID 177244403

IUPAC[4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid
SMILESCCc1ccc2c3ccccc3n(-c3ccc(P(=O)(O)O)cc3)c2c1
InChIInChI=1S/C20H18NO3P/c1-2-14-7-12-18-17-5-3-4-6-19(17)21(20(18)13-14)15-8-10-16(11-9-15)25(22,23)24/h3-13H,2H2,1H3,(H2,22,23,24)
InChIKeyXAZOZBXCPWWOBU-UHFFFAOYSA-N
MW351.34 g/mol
LogP4.15
Rot. Bonds3

About [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid

[4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid (PubChem CID 177244403) has the molecular formula C20H18NO3P and a molecular weight of 351.34 g/mol. Its IUPAC name is [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid
PubChem CID177244403
Molecular FormulaC20H18NO3P
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name[4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid
SMILESCCc1ccc2c3ccccc3n(-c3ccc(P(=O)(O)O)cc3)c2c1
InChIInChI=1S/C20H18NO3P/c1-2-14-7-12-18-17-5-3-4-6-19(17)21(20(18)13-14)15-8-10-16(11-9-15)25(22,23)24/h3-13H,2H2,1H3,(H2,22,23,24)
InChIKeyXAZOZBXCPWWOBU-UHFFFAOYSA-N
XLogP4.15
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 54.15
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-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 178181460
4-(2,7-diethylcarbazol-9-yl)benzoic acid
CID 139957754
5,11-bis(3-ethylphenyl)indolo[3,2-b]carbazole
CID 130417419
[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244499
[3-[4-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244417
2-ethyl-9-methylcarbazole
CID 71038255
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
9-(4-ethylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118689637
[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
CID 178181472
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-benzyl-9-(4-fluorophenyl)carbazole
CID 161167976
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid?
The IUPAC name of [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid (CID 177244403) is [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid.
What is the SMILES notation for [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid?
The canonical SMILES for [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid is CCc1ccc2c3ccccc3n(-c3ccc(P(=O)(O)O)cc3)c2c1.
What is the InChIKey of [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid?
The InChIKey is XAZOZBXCPWWOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NO3P/c1-2-14-7-12-18-17-5-3-4-6-19(17)21(20(18)13-14)15-8-10-16(11-9-15)25(22,23)24/h3-13H,2H2,1H3,(H2,22,23,24).
What are the key properties of [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid?
[4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid has a molecular weight of 351.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid is sourced from PubChem (CID 177244403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).