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

C26H22NO5P — CID 177244570

IUPAC[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3cccc(-c4cccc(P(=O)(O)O)c4)c3)c2c1
InChIInChI=1S/C26H22NO5P/c1-31-20-9-11-23-24-12-10-21(32-2)16-26(24)27(25(23)15-20)19-7-3-5-17(13-19)18-6-4-8-22(14-18)33(28,29)30/h3-16H,1-2H3,(H2,28,29,30)
InChIKeySHWHXGHBAATGPV-UHFFFAOYSA-N
MW459.44 g/mol
LogP5.27
Rot. Bonds5

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

[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid (PubChem CID 177244570) has the molecular formula C26H22NO5P and a molecular weight of 459.44 g/mol. Its IUPAC name is [3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
PubChem CID177244570
Molecular FormulaC26H22NO5P
Molecular Weight459.44 g/mol
Exact Mass459.12
IUPAC Name[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3cccc(-c4cccc(P(=O)(O)O)c4)c3)c2c1
InChIInChI=1S/C26H22NO5P/c1-31-20-9-11-23-24-12-10-21(32-2)16-26(24)27(25(23)15-20)19-7-3-5-17(13-19)18-6-4-8-22(14-18)33(28,29)30/h3-16H,1-2H3,(H2,28,29,30)
InChIKeySHWHXGHBAATGPV-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

[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
[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244522
[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244545
[3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244586
[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244499
[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
CID 178181472
[3-[4-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244417
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
[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 178181460
9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole
CID 177244536
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The IUPAC name of [3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid (CID 177244570) is [3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid.
What is the SMILES notation for [3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The canonical SMILES for [3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid is COc1ccc2c3ccc(OC)cc3n(-c3cccc(-c4cccc(P(=O)(O)O)c4)c3)c2c1.
What is the InChIKey of [3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The InChIKey is SHWHXGHBAATGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NO5P/c1-31-20-9-11-23-24-12-10-21(32-2)16-26(24)27(25(23)15-20)19-7-3-5-17(13-19)18-6-4-8-22(14-18)33(28,29)30/h3-16H,1-2H3,(H2,28,29,30).
What are the key properties of [3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid?
[3-[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 [3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid is sourced from PubChem (CID 177244570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).