(2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one

C28H17NO3 — CID 71454229

IUPAC(2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one
SMILESO=C1/C(=C/c2ccc3oc4ccccc4c3c2)COc2ccc3[nH]c4ccccc4c3c21
InChIInChI=1S/C28H17NO3/c30-28-17(13-16-9-11-24-20(14-16)18-5-2-4-8-23(18)32-24)15-31-25-12-10-22-26(27(25)28)19-6-1-3-7-21(19)29-22/h1-14,29H,15H2/b17-13+
InChIKeyYBSASIQJGBCDNM-GHRIWEEISA-N
MW415.45 g/mol
LogP6.88
Rot. Bonds1

About (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one

(2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one (PubChem CID 71454229) has the molecular formula C28H17NO3 and a molecular weight of 415.45 g/mol. Its IUPAC name is (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one.

Molecular Properties

Compound Name(2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one
PubChem CID71454229
Molecular FormulaC28H17NO3
Molecular Weight415.45 g/mol
Exact Mass415.12
IUPAC Name(2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one
SMILESO=C1/C(=C/c2ccc3oc4ccccc4c3c2)COc2ccc3[nH]c4ccccc4c3c21
InChIInChI=1S/C28H17NO3/c30-28-17(13-16-9-11-24-20(14-16)18-5-2-4-8-23(18)32-24)15-31-25-12-10-22-26(27(25)28)19-6-1-3-7-21(19)29-22/h1-14,29H,15H2/b17-13+
InChIKeyYBSASIQJGBCDNM-GHRIWEEISA-N
XLogP6.88
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one?
The IUPAC name of (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one (CID 71454229) is (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one.
What is the SMILES notation for (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one?
The canonical SMILES for (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one is O=C1/C(=C/c2ccc3oc4ccccc4c3c2)COc2ccc3[nH]c4ccccc4c3c21.
What is the InChIKey of (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one?
The InChIKey is YBSASIQJGBCDNM-GHRIWEEISA-N. The full InChI is InChI=1S/C28H17NO3/c30-28-17(13-16-9-11-24-20(14-16)18-5-2-4-8-23(18)32-24)15-31-25-12-10-22-26(27(25)28)19-6-1-3-7-21(19)29-22/h1-14,29H,15H2/b17-13+.
What are the key properties of (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one?
(2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one has a molecular weight of 415.45 g/mol, XLogP of 6.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dibenzofuran-2-ylmethylidene)-7H-pyrano[2,3-c]carbazol-1-one is sourced from PubChem (CID 71454229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).