[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid

C26H22NO5P — CID 177244510

IUPAC[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3cccc(-c4ccc(P(=O)(O)O)cc4)c3)c2c1
InChIInChI=1S/C26H22NO5P/c1-31-20-8-12-23-24-13-9-21(32-2)16-26(24)27(25(23)15-20)19-5-3-4-18(14-19)17-6-10-22(11-7-17)33(28,29)30/h3-16H,1-2H3,(H2,28,29,30)
InChIKeyLIABAEZQAGRFDR-UHFFFAOYSA-N
MW459.44 g/mol
LogP5.27
Rot. Bonds5

About [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid

[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid (PubChem CID 177244510) has the molecular formula C26H22NO5P and a molecular weight of 459.44 g/mol. Its IUPAC name is [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
PubChem CID177244510
Molecular FormulaC26H22NO5P
Molecular Weight459.44 g/mol
Exact Mass459.12
IUPAC Name[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3cccc(-c4ccc(P(=O)(O)O)cc4)c3)c2c1
InChIInChI=1S/C26H22NO5P/c1-31-20-8-12-23-24-13-9-21(32-2)16-26(24)27(25(23)15-20)19-5-3-4-18(14-19)17-6-10-22(11-7-17)33(28,29)30/h3-16H,1-2H3,(H2,28,29,30)
InChIKeyLIABAEZQAGRFDR-UHFFFAOYSA-N
XLogP5.27
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244570
[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244626
[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244499
[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 178181460
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
[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244522
[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244545
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
[3-[4-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244417
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The IUPAC name of [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid (CID 177244510) is [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid.
What is the SMILES notation for [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The canonical SMILES for [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid is COc1ccc2c3ccc(OC)cc3n(-c3cccc(-c4ccc(P(=O)(O)O)cc4)c3)c2c1.
What is the InChIKey of [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The InChIKey is LIABAEZQAGRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NO5P/c1-31-20-8-12-23-24-13-9-21(32-2)16-26(24)27(25(23)15-20)19-5-3-4-18(14-19)17-6-10-22(11-7-17)33(28,29)30/h3-16H,1-2H3,(H2,28,29,30).
What are the key properties of [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid has a molecular weight of 459.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid is sourced from PubChem (CID 177244510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).