1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

C23H13IN2O — CID 167193903

IUPAC1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESIc1ccc2c(c1)c1ccccc1n2-c1nccc2c1oc1ccccc12
InChIInChI=1S/C23H13IN2O/c24-14-9-10-20-18(13-14)15-5-1-3-7-19(15)26(20)23-22-17(11-12-25-23)16-6-2-4-8-21(16)27-22/h1-13H
InChIKeyFVFBSRKIKRNURA-UHFFFAOYSA-N
MW460.27 g/mol
LogP6.68
Rot. Bonds1

About 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 167193903) has the molecular formula C23H13IN2O and a molecular weight of 460.27 g/mol. Its IUPAC name is 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID167193903
Molecular FormulaC23H13IN2O
Molecular Weight460.27 g/mol
Exact Mass460.01
IUPAC Name1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESIc1ccc2c(c1)c1ccccc1n2-c1nccc2c1oc1ccccc12
InChIInChI=1S/C23H13IN2O/c24-14-9-10-20-18(13-14)15-5-1-3-7-19(15)26(20)23-22-17(11-12-25-23)16-6-2-4-8-21(16)27-22/h1-13H
InChIKeyFVFBSRKIKRNURA-UHFFFAOYSA-N
XLogP6.68
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.27
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;6-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 157234623
1-[3-[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 158552682
1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 71478917
9-dibenzofuran-1-yl-3-iodocarbazole
CID 90291712
24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene
CID 174072666
3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 59413710
1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168811265
3-iodo-9-(4-iodophenyl)carbazole
CID 139783630
3-iodo-9-phenylcarbazole
CID 11810740
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole
CID 58536445
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (CID 167193903) is 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is Ic1ccc2c(c1)c1ccccc1n2-c1nccc2c1oc1ccccc12.
What is the InChIKey of 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is FVFBSRKIKRNURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13IN2O/c24-14-9-10-20-18(13-14)15-5-1-3-7-19(15)26(20)23-22-17(11-12-25-23)16-6-2-4-8-21(16)27-22/h1-13H.
What are the key properties of 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 460.27 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 167193903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).