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

C26H22NO4P — CID 178181460

IUPAC[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESCCOc1ccc2c3ccccc3n(-c3ccc(-c4ccc(P(=O)(O)O)cc4)cc3)c2c1
InChIInChI=1S/C26H22NO4P/c1-2-31-21-13-16-24-23-5-3-4-6-25(23)27(26(24)17-21)20-11-7-18(8-12-20)19-9-14-22(15-10-19)32(28,29)30/h3-17H,2H2,1H3,(H2,28,29,30)
InChIKeyMEAHDEAUWOFPMT-UHFFFAOYSA-N
MW443.44 g/mol
LogP5.65
Rot. Bonds5

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

[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid (PubChem CID 178181460) has the molecular formula C26H22NO4P and a molecular weight of 443.44 g/mol. Its IUPAC name is [4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
PubChem CID178181460
Molecular FormulaC26H22NO4P
Molecular Weight443.44 g/mol
Exact Mass443.13
IUPAC Name[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESCCOc1ccc2c3ccccc3n(-c3ccc(-c4ccc(P(=O)(O)O)cc4)cc3)c2c1
InChIInChI=1S/C26H22NO4P/c1-2-31-21-13-16-24-23-5-3-4-6-25(23)27(26(24)17-21)20-11-7-18(8-12-20)19-9-14-22(15-10-19)32(28,29)30/h3-17H,2H2,1H3,(H2,28,29,30)
InChIKeyMEAHDEAUWOFPMT-UHFFFAOYSA-N
XLogP5.65
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.44
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
CID 178181472
[4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid
CID 177244403
[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244510
[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244626
[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244499
[3-[4-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244417
(4-ethoxyphenyl)phosphonic acid
CID 2779466
9-(4-ethoxyphenyl)carbazole-3-carbaldehyde
CID 140847862
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
5-bis(4-phenylphenyl)phosphoryl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 138742058
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The IUPAC name of [4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid (CID 178181460) is [4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid.
What is the SMILES notation for [4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The canonical SMILES for [4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid is CCOc1ccc2c3ccccc3n(-c3ccc(-c4ccc(P(=O)(O)O)cc4)cc3)c2c1.
What is the InChIKey of [4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The InChIKey is MEAHDEAUWOFPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NO4P/c1-2-31-21-13-16-24-23-5-3-4-6-25(23)27(26(24)17-21)20-11-7-18(8-12-20)19-9-14-22(15-10-19)32(28,29)30/h3-17H,2H2,1H3,(H2,28,29,30).
What are the key properties of [4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid has a molecular weight of 443.44 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid is sourced from PubChem (CID 178181460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).