9-ethyl-1,3,6-tripyridin-4-ylcarbazole

C29H22N4 — CID 141362770

IUPAC9-ethyl-1,3,6-tripyridin-4-ylcarbazole
SMILESCCn1c2ccc(-c3ccncc3)cc2c2cc(-c3ccncc3)cc(-c3ccncc3)c21
InChIInChI=1S/C29H22N4/c1-2-33-28-4-3-23(20-5-11-30-12-6-20)17-26(28)27-19-24(21-7-13-31-14-8-21)18-25(29(27)33)22-9-15-32-16-10-22/h3-19H,2H2,1H3
InChIKeyXYTBKOPKBYBZOW-UHFFFAOYSA-N
MW426.52 g/mol
LogP7.00
Rot. Bonds4

About 9-ethyl-1,3,6-tripyridin-4-ylcarbazole

9-ethyl-1,3,6-tripyridin-4-ylcarbazole (PubChem CID 141362770) has the molecular formula C29H22N4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 9-ethyl-1,3,6-tripyridin-4-ylcarbazole.

Molecular Properties

Compound Name9-ethyl-1,3,6-tripyridin-4-ylcarbazole
PubChem CID141362770
Molecular FormulaC29H22N4
Molecular Weight426.52 g/mol
Exact Mass426.18
IUPAC Name9-ethyl-1,3,6-tripyridin-4-ylcarbazole
SMILESCCn1c2ccc(-c3ccncc3)cc2c2cc(-c3ccncc3)cc(-c3ccncc3)c21
InChIInChI=1S/C29H22N4/c1-2-33-28-4-3-23(20-5-11-30-12-6-20)17-26(28)27-19-24(21-7-13-31-14-8-21)18-25(29(27)33)22-9-15-32-16-10-22/h3-19H,2H2,1H3
InChIKeyXYTBKOPKBYBZOW-UHFFFAOYSA-N
XLogP7.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1,3,6-tripyridin-4-ylcarbazole?
The IUPAC name of 9-ethyl-1,3,6-tripyridin-4-ylcarbazole (CID 141362770) is 9-ethyl-1,3,6-tripyridin-4-ylcarbazole.
What is the SMILES notation for 9-ethyl-1,3,6-tripyridin-4-ylcarbazole?
The canonical SMILES for 9-ethyl-1,3,6-tripyridin-4-ylcarbazole is CCn1c2ccc(-c3ccncc3)cc2c2cc(-c3ccncc3)cc(-c3ccncc3)c21.
What is the InChIKey of 9-ethyl-1,3,6-tripyridin-4-ylcarbazole?
The InChIKey is XYTBKOPKBYBZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4/c1-2-33-28-4-3-23(20-5-11-30-12-6-20)17-26(28)27-19-24(21-7-13-31-14-8-21)18-25(29(27)33)22-9-15-32-16-10-22/h3-19H,2H2,1H3.
What are the key properties of 9-ethyl-1,3,6-tripyridin-4-ylcarbazole?
9-ethyl-1,3,6-tripyridin-4-ylcarbazole has a molecular weight of 426.52 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1,3,6-tripyridin-4-ylcarbazole is sourced from PubChem (CID 141362770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).