9-(2-bromo-3-fluoro-5-iodophenyl)carbazole

C18H10BrFIN — CID 176903087

IUPAC9-(2-bromo-3-fluoro-5-iodophenyl)carbazole
SMILESFc1cc(I)cc(-n2c3ccccc3c3ccccc32)c1Br
InChIInChI=1S/C18H10BrFIN/c19-18-14(20)9-11(21)10-17(18)22-15-7-3-1-5-12(15)13-6-2-4-8-16(13)22/h1-10H
InChIKeyWXOGNRYHKKFOLT-UHFFFAOYSA-N
MW466.09 g/mol
LogP6.29
Rot. Bonds1

About 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole

9-(2-bromo-3-fluoro-5-iodophenyl)carbazole (PubChem CID 176903087) has the molecular formula C18H10BrFIN and a molecular weight of 466.09 g/mol. Its IUPAC name is 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole.

Molecular Properties

Compound Name9-(2-bromo-3-fluoro-5-iodophenyl)carbazole
PubChem CID176903087
Molecular FormulaC18H10BrFIN
Molecular Weight466.09 g/mol
Exact Mass464.90
IUPAC Name9-(2-bromo-3-fluoro-5-iodophenyl)carbazole
SMILESFc1cc(I)cc(-n2c3ccccc3c3ccccc32)c1Br
InChIInChI=1S/C18H10BrFIN/c19-18-14(20)9-11(21)10-17(18)22-15-7-3-1-5-12(15)13-6-2-4-8-16(13)22/h1-10H
InChIKeyWXOGNRYHKKFOLT-UHFFFAOYSA-N
XLogP6.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.09
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

9-(3-bromonaphthalen-2-yl)carbazole
CID 166009716
9-(4-bromo-2-chlorophenyl)carbazole
CID 134843390
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
20-(4-bromo-3-fluorophenyl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 172522385
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
9-(9-carbazol-9-ylpyren-4-yl)carbazole
CID 174313049
9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole
CID 168811263
9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
CID 145345322
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole
CID 164577680
9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole
CID 176858145
2-bromo-3-carbazol-9-yl-9-phenylcarbazole
CID 134598351

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole?
The IUPAC name of 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole (CID 176903087) is 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole.
What is the SMILES notation for 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole?
The canonical SMILES for 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole is Fc1cc(I)cc(-n2c3ccccc3c3ccccc32)c1Br.
What is the InChIKey of 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole?
The InChIKey is WXOGNRYHKKFOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrFIN/c19-18-14(20)9-11(21)10-17(18)22-15-7-3-1-5-12(15)13-6-2-4-8-16(13)22/h1-10H.
What are the key properties of 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole?
9-(2-bromo-3-fluoro-5-iodophenyl)carbazole has a molecular weight of 466.09 g/mol, XLogP of 6.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromo-3-fluoro-5-iodophenyl)carbazole is sourced from PubChem (CID 176903087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).