3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole

C34H21N3O — CID 163439035

IUPAC3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
SMILESc1cncc(-c2ccc3oc4ccc(-n5c6ccccc6c6cc(-c7cccnc7)ccc65)cc4c3c2)c1
InChIInChI=1S/C34H21N3O/c1-2-8-31-27(7-1)28-17-22(24-5-3-15-35-20-24)9-12-32(28)37(31)26-11-14-34-30(19-26)29-18-23(10-13-33(29)38-34)25-6-4-16-36-21-25/h1-21H
InChIKeyAWYIDSQMUSNKMU-UHFFFAOYSA-N
MW487.56 g/mol
LogP8.81
Rot. Bonds3

About 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole

3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole (PubChem CID 163439035) has the molecular formula C34H21N3O and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
PubChem CID163439035
Molecular FormulaC34H21N3O
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
SMILESc1cncc(-c2ccc3oc4ccc(-n5c6ccccc6c6cc(-c7cccnc7)ccc65)cc4c3c2)c1
InChIInChI=1S/C34H21N3O/c1-2-8-31-27(7-1)28-17-22(24-5-3-15-35-20-24)9-12-32(28)37(31)26-11-14-34-30(19-26)29-18-23(10-13-33(29)38-34)25-6-4-16-36-21-25/h1-21H
InChIKeyAWYIDSQMUSNKMU-UHFFFAOYSA-N
XLogP8.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole?
The IUPAC name of 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole (CID 163439035) is 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole?
The canonical SMILES for 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole is c1cncc(-c2ccc3oc4ccc(-n5c6ccccc6c6cc(-c7cccnc7)ccc65)cc4c3c2)c1.
What is the InChIKey of 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole?
The InChIKey is AWYIDSQMUSNKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O/c1-2-8-31-27(7-1)28-17-22(24-5-3-15-35-20-24)9-12-32(28)37(31)26-11-14-34-30(19-26)29-18-23(10-13-33(29)38-34)25-6-4-16-36-21-25/h1-21H.
What are the key properties of 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole?
3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole has a molecular weight of 487.56 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 163439035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).