9-(4-tert-butyl-2-pyridinyl)carbazole

C21H20N2 — CID 141429222

IUPAC9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C21H20N2/c1-21(2,3)15-12-13-22-20(14-15)23-18-10-6-4-8-16(18)17-9-5-7-11-19(17)23/h4-14H,1-3H3
InChIKeyUICJHCZGECDBML-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.48
Rot. Bonds1

About 9-(4-tert-butyl-2-pyridinyl)carbazole

9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 141429222) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID141429222
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C21H20N2/c1-21(2,3)15-12-13-22-20(14-15)23-18-10-6-4-8-16(18)17-9-5-7-11-19(17)23/h4-14H,1-3H3
InChIKeyUICJHCZGECDBML-UHFFFAOYSA-N
XLogP5.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)carbazole (CID 141429222) is 9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is UICJHCZGECDBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-21(2,3)15-12-13-22-20(14-15)23-18-10-6-4-8-16(18)17-9-5-7-11-19(17)23/h4-14H,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)carbazole?
9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 300.41 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 141429222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).