2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole

C27H17N3O — CID 66636014

IUPAC2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1cc(-c3cccc4oc5ccc(-n6ccnc6)cc5c34)ccc12
InChIInChI=1S/C27H17N3O/c1-2-6-23-20(4-1)21-10-8-17(14-24(21)29-23)19-5-3-7-26-27(19)22-15-18(9-11-25(22)31-26)30-13-12-28-16-30/h1-16,29H
InChIKeyAXZKGRXYVZNUBH-UHFFFAOYSA-N
MW399.45 g/mol
LogP7.07
Rot. Bonds2

About 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole

2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole (PubChem CID 66636014) has the molecular formula C27H17N3O and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole.

Molecular Properties

Compound Name2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole
PubChem CID66636014
Molecular FormulaC27H17N3O
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC Name2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1cc(-c3cccc4oc5ccc(-n6ccnc6)cc5c34)ccc12
InChIInChI=1S/C27H17N3O/c1-2-6-23-20(4-1)21-10-8-17(14-24(21)29-23)19-5-3-7-26-27(19)22-15-18(9-11-25(22)31-26)30-13-12-28-16-30/h1-16,29H
InChIKeyAXZKGRXYVZNUBH-UHFFFAOYSA-N
XLogP7.07
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole?
The IUPAC name of 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole (CID 66636014) is 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole.
What is the SMILES notation for 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole?
The canonical SMILES for 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole is c1ccc2c(c1)[nH]c1cc(-c3cccc4oc5ccc(-n6ccnc6)cc5c34)ccc12.
What is the InChIKey of 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole?
The InChIKey is AXZKGRXYVZNUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O/c1-2-6-23-20(4-1)21-10-8-17(14-24(21)29-23)19-5-3-7-26-27(19)22-15-18(9-11-25(22)31-26)30-13-12-28-16-30/h1-16,29H.
What are the key properties of 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole?
2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole has a molecular weight of 399.45 g/mol, XLogP of 7.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-imidazol-1-yldibenzofuran-1-yl)-9H-carbazole is sourced from PubChem (CID 66636014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).