9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole

C28H19N3O — CID 139406130

IUPAC9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILESc1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1
InChIInChI=1S/C28H19N3O/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28/h1-19H
InChIKeyQJIVRCAHJAEURM-UHFFFAOYSA-N
MW413.48 g/mol
LogP7.03
Rot. Bonds4

About 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole

9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole (PubChem CID 139406130) has the molecular formula C28H19N3O and a molecular weight of 413.48 g/mol. Its IUPAC name is 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole.

Molecular Properties

Compound Name9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole
PubChem CID139406130
Molecular FormulaC28H19N3O
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC Name9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILESc1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1
InChIInChI=1S/C28H19N3O/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28/h1-19H
InChIKeyQJIVRCAHJAEURM-UHFFFAOYSA-N
XLogP7.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole?
The IUPAC name of 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole (CID 139406130) is 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole.
What is the SMILES notation for 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole?
The canonical SMILES for 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole is c1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1.
What is the InChIKey of 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole?
The InChIKey is QJIVRCAHJAEURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28/h1-19H.
What are the key properties of 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole?
9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole has a molecular weight of 413.48 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole is sourced from PubChem (CID 139406130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).