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

C24H16Br2NO3P — CID 177244586

IUPAC[3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2ccc(-n3c4cc(Br)ccc4c4ccc(Br)cc43)cc2)c1
InChIInChI=1S/C24H16Br2NO3P/c25-17-6-10-21-22-11-7-18(26)14-24(22)27(23(21)13-17)19-8-4-15(5-9-19)16-2-1-3-20(12-16)31(28,29)30/h1-14H,(H2,28,29,30)
InChIKeyPTTHSNAOGNWBMB-UHFFFAOYSA-N
MW557.18 g/mol
LogP6.78
Rot. Bonds3

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

[3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid (PubChem CID 177244586) has the molecular formula C24H16Br2NO3P and a molecular weight of 557.18 g/mol. Its IUPAC name is [3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
PubChem CID177244586
Molecular FormulaC24H16Br2NO3P
Molecular Weight557.18 g/mol
Exact Mass554.92
IUPAC Name[3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2ccc(-n3c4cc(Br)ccc4c4ccc(Br)cc43)cc2)c1
InChIInChI=1S/C24H16Br2NO3P/c25-17-6-10-21-22-11-7-18(26)14-24(22)27(23(21)13-17)19-8-4-15(5-9-19)16-2-1-3-20(12-16)31(28,29)30/h1-14H,(H2,28,29,30)
InChIKeyPTTHSNAOGNWBMB-UHFFFAOYSA-N
XLogP6.78
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.18
LogP ≤ 56.78
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-[4-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244417
[3-[3-(3-bromocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244545
[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244570
[3-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244522
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244510
2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole
CID 158059699
[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244499
7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 129221567
2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549
2-bromo-9-(4-naphthalen-1-ylphenyl)carbazole
CID 130250089
2-[3-(3-bromophenyl)phenyl]-6,9-diphenylcarbazole
CID 90216159

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The IUPAC name of [3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid (CID 177244586) is [3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid.
What is the SMILES notation for [3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The canonical SMILES for [3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid is O=P(O)(O)c1cccc(-c2ccc(-n3c4cc(Br)ccc4c4ccc(Br)cc43)cc2)c1.
What is the InChIKey of [3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
The InChIKey is PTTHSNAOGNWBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2NO3P/c25-17-6-10-21-22-11-7-18(26)14-24(22)27(23(21)13-17)19-8-4-15(5-9-19)16-2-1-3-20(12-16)31(28,29)30/h1-14H,(H2,28,29,30).
What are the key properties of [3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid?
[3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid has a molecular weight of 557.18 g/mol, XLogP of 6.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2,7-dibromocarbazol-9-yl)phenyl]phenyl]phosphonic acid is sourced from PubChem (CID 177244586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).