2,6,9-tritert-butylcarbazole

C24H33N — CID 177113514

IUPAC2,6,9-tritert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccc(C(C)(C)C)cc1n2C(C)(C)C
InChIInChI=1S/C24H33N/c1-22(2,3)16-11-13-20-19(14-16)18-12-10-17(23(4,5)6)15-21(18)25(20)24(7,8)9/h10-15H,1-9H3
InChIKeyOVZSLPGWXNANEF-UHFFFAOYSA-N
MW335.54 g/mol
LogP7.14
Rot. Bonds

About 2,6,9-tritert-butylcarbazole

2,6,9-tritert-butylcarbazole (PubChem CID 177113514) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 2,6,9-tritert-butylcarbazole.

Molecular Properties

Compound Name2,6,9-tritert-butylcarbazole
PubChem CID177113514
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name2,6,9-tritert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccc(C(C)(C)C)cc1n2C(C)(C)C
InChIInChI=1S/C24H33N/c1-22(2,3)16-11-13-20-19(14-16)18-12-10-17(23(4,5)6)15-21(18)25(20)24(7,8)9/h10-15H,1-9H3
InChIKeyOVZSLPGWXNANEF-UHFFFAOYSA-N
XLogP7.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6,9-tritert-butylcarbazole?
The IUPAC name of 2,6,9-tritert-butylcarbazole (CID 177113514) is 2,6,9-tritert-butylcarbazole.
What is the SMILES notation for 2,6,9-tritert-butylcarbazole?
The canonical SMILES for 2,6,9-tritert-butylcarbazole is CC(C)(C)c1ccc2c(c1)c1ccc(C(C)(C)C)cc1n2C(C)(C)C.
What is the InChIKey of 2,6,9-tritert-butylcarbazole?
The InChIKey is OVZSLPGWXNANEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-22(2,3)16-11-13-20-19(14-16)18-12-10-17(23(4,5)6)15-21(18)25(20)24(7,8)9/h10-15H,1-9H3.
What are the key properties of 2,6,9-tritert-butylcarbazole?
2,6,9-tritert-butylcarbazole has a molecular weight of 335.54 g/mol, XLogP of 7.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9-tritert-butylcarbazole is sourced from PubChem (CID 177113514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).