9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole

C36H23NO2 — CID 155160118

IUPAC9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole
SMILESC1=CC2c3cccc(-c4cccc5c4oc4ccccc45)c3OC2C(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C36H23NO2/c1-4-18-30-22(10-1)23-11-2-5-19-31(23)37(30)32-20-9-17-29-28-16-8-15-27(35(28)39-36(29)32)26-14-7-13-25-24-12-3-6-21-33(24)38-34(25)26/h1-21,29,36H
InChIKeyHRSFYIJYSKSZDO-UHFFFAOYSA-N
MW501.59 g/mol
LogP9.32
Rot. Bonds2

About 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole

9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole (PubChem CID 155160118) has the molecular formula C36H23NO2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole
PubChem CID155160118
Molecular FormulaC36H23NO2
Molecular Weight501.59 g/mol
Exact Mass501.17
IUPAC Name9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole
SMILESC1=CC2c3cccc(-c4cccc5c4oc4ccccc45)c3OC2C(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C36H23NO2/c1-4-18-30-22(10-1)23-11-2-5-19-31(23)37(30)32-20-9-17-29-28-16-8-15-27(35(28)39-36(29)32)26-14-7-13-25-24-12-3-6-21-33(24)38-34(25)26/h1-21,29,36H
InChIKeyHRSFYIJYSKSZDO-UHFFFAOYSA-N
XLogP9.32
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole?
The IUPAC name of 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole (CID 155160118) is 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole.
What is the SMILES notation for 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole?
The canonical SMILES for 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole is C1=CC2c3cccc(-c4cccc5c4oc4ccccc45)c3OC2C(n2c3ccccc3c3ccccc32)=C1.
What is the InChIKey of 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole?
The InChIKey is HRSFYIJYSKSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO2/c1-4-18-30-22(10-1)23-11-2-5-19-31(23)37(30)32-20-9-17-29-28-16-8-15-27(35(28)39-36(29)32)26-14-7-13-25-24-12-3-6-21-33(24)38-34(25)26/h1-21,29,36H.
What are the key properties of 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole?
9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole has a molecular weight of 501.59 g/mol, XLogP of 9.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole is sourced from PubChem (CID 155160118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).