9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole

C24H15BrINO — CID 176858145

IUPAC9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole
SMILESBrc1cc(I)cc(Oc2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C24H15BrINO/c25-16-12-17(26)14-20(13-16)28-19-7-5-6-18(15-19)27-23-10-3-1-8-21(23)22-9-2-4-11-24(22)27/h1-15H
InChIKeyJBDPSTGOBIHRBS-UHFFFAOYSA-N
MW540.20 g/mol
LogP7.94
Rot. Bonds3

About 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole

9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole (PubChem CID 176858145) has the molecular formula C24H15BrINO and a molecular weight of 540.20 g/mol. Its IUPAC name is 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole
PubChem CID176858145
Molecular FormulaC24H15BrINO
Molecular Weight540.20 g/mol
Exact Mass538.94
IUPAC Name9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole
SMILESBrc1cc(I)cc(Oc2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C24H15BrINO/c25-16-12-17(26)14-20(13-16)28-19-7-5-6-18(15-19)27-23-10-3-1-8-21(23)22-9-2-4-11-24(22)27/h1-15H
InChIKeyJBDPSTGOBIHRBS-UHFFFAOYSA-N
XLogP7.94
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.20
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289282
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide
CID 140680733
3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118220359
9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 141480105
1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole
CID 160677536
9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
CID 71232754
9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole
CID 140730085
[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane
CID 155671513
3-iodo-9-phenylcarbazole
CID 11810740
3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole
CID 167351677

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole?
The IUPAC name of 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole (CID 176858145) is 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole.
What is the SMILES notation for 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole?
The canonical SMILES for 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole is Brc1cc(I)cc(Oc2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole?
The InChIKey is JBDPSTGOBIHRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrINO/c25-16-12-17(26)14-20(13-16)28-19-7-5-6-18(15-19)27-23-10-3-1-8-21(23)22-9-2-4-11-24(22)27/h1-15H.
What are the key properties of 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole?
9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole has a molecular weight of 540.20 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole is sourced from PubChem (CID 176858145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).