4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine

C29H13F5N2O — CID 135131324

IUPAC4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(F)c(-c2ccc3oc4c(-n5c6ccccc6c6ccccc65)ccnc4c3c2)c(F)c1F
InChIInChI=1S/C29H13F5N2O/c30-23-22(24(31)26(33)27(34)25(23)32)14-9-10-21-17(13-14)28-29(37-21)20(11-12-35-28)36-18-7-3-1-5-15(18)16-6-2-4-8-19(16)36/h1-13H
InChIKeyBZGPELRIDAAHAH-UHFFFAOYSA-N
MW500.43 g/mol
LogP8.44
Rot. Bonds2

About 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine

4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 135131324) has the molecular formula C29H13F5N2O and a molecular weight of 500.43 g/mol. Its IUPAC name is 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine
PubChem CID135131324
Molecular FormulaC29H13F5N2O
Molecular Weight500.43 g/mol
Exact Mass500.09
IUPAC Name4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(F)c(-c2ccc3oc4c(-n5c6ccccc6c6ccccc65)ccnc4c3c2)c(F)c1F
InChIInChI=1S/C29H13F5N2O/c30-23-22(24(31)26(33)27(34)25(23)32)14-9-10-21-17(13-14)28-29(37-21)20(11-12-35-28)36-18-7-3-1-5-15(18)16-6-2-4-8-19(16)36/h1-13H
InChIKeyBZGPELRIDAAHAH-UHFFFAOYSA-N
XLogP8.44
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine (CID 135131324) is 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine is Fc1c(F)c(F)c(-c2ccc3oc4c(-n5c6ccccc6c6ccccc65)ccnc4c3c2)c(F)c1F.
What is the InChIKey of 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is BZGPELRIDAAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H13F5N2O/c30-23-22(24(31)26(33)27(34)25(23)32)14-9-10-21-17(13-14)28-29(37-21)20(11-12-35-28)36-18-7-3-1-5-15(18)16-6-2-4-8-19(16)36/h1-13H.
What are the key properties of 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine?
4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 500.43 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 135131324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).