[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid

C24H17BrNO3P — CID 177244545

IUPAC[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2cccc(-n3c4ccccc4c4cc(Br)ccc43)c2)c1
InChIInChI=1S/C24H17BrNO3P/c25-18-11-12-24-22(15-18)21-9-1-2-10-23(21)26(24)19-7-3-5-16(13-19)17-6-4-8-20(14-17)30(27,28)29/h1-15H,(H2,27,28,29)
InChIKeyDVGNUNYECOCAFH-UHFFFAOYSA-N
MW478.28 g/mol
LogP6.02
Rot. Bonds3

About [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid

[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid (PubChem CID 177244545) has the molecular formula C24H17BrNO3P and a molecular weight of 478.28 g/mol. Its IUPAC name is [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
PubChem CID177244545
Molecular FormulaC24H17BrNO3P
Molecular Weight478.28 g/mol
Exact Mass477.01
IUPAC Name[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2cccc(-n3c4ccccc4c4cc(Br)ccc43)c2)c1
InChIInChI=1S/C24H17BrNO3P/c25-18-11-12-24-22(15-18)21-9-1-2-10-23(21)26(24)19-7-3-5-16(13-19)17-6-4-8-20(14-17)30(27,28)29/h1-15H,(H2,27,28,29)
InChIKeyDVGNUNYECOCAFH-UHFFFAOYSA-N
XLogP6.02
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.28
LogP ≤ 56.02
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

[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244522
[3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244586
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
[4-[3-(3-methoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244626
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244570
3-bromo-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 90177181
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244499
[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
CID 178181472

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The IUPAC name of [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid (CID 177244545) is [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid.
What is the SMILES notation for [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The canonical SMILES for [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid is O=P(O)(O)c1cccc(-c2cccc(-n3c4ccccc4c4cc(Br)ccc43)c2)c1.
What is the InChIKey of [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The InChIKey is DVGNUNYECOCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrNO3P/c25-18-11-12-24-22(15-18)21-9-1-2-10-23(21)26(24)19-7-3-5-16(13-19)17-6-4-8-20(14-17)30(27,28)29/h1-15H,(H2,27,28,29).
What are the key properties of [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid has a molecular weight of 478.28 g/mol, XLogP of 6.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid is sourced from PubChem (CID 177244545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).