3,6-ditert-butyl-9-hexylcarbazole

C26H37N — CID 146671988

IUPAC3,6-ditert-butyl-9-hexylcarbazole
SMILESCCCCCCn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C26H37N/c1-8-9-10-11-16-27-23-14-12-19(25(2,3)4)17-21(23)22-18-20(26(5,6)7)13-15-24(22)27/h12-15,17-18H,8-11,16H2,1-7H3
InChIKeyIDTLXZGSFGWHOL-UHFFFAOYSA-N
MW363.59 g/mol
LogP7.97
Rot. Bonds5

About 3,6-ditert-butyl-9-hexylcarbazole

3,6-ditert-butyl-9-hexylcarbazole (PubChem CID 146671988) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-hexylcarbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-hexylcarbazole
PubChem CID146671988
Molecular FormulaC26H37N
Molecular Weight363.59 g/mol
Exact Mass363.29
IUPAC Name3,6-ditert-butyl-9-hexylcarbazole
SMILESCCCCCCn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C26H37N/c1-8-9-10-11-16-27-23-14-12-19(25(2,3)4)17-21(23)22-18-20(26(5,6)7)13-15-24(22)27/h12-15,17-18H,8-11,16H2,1-7H3
InChIKeyIDTLXZGSFGWHOL-UHFFFAOYSA-N
XLogP7.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-hexylcarbazole?
The IUPAC name of 3,6-ditert-butyl-9-hexylcarbazole (CID 146671988) is 3,6-ditert-butyl-9-hexylcarbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-hexylcarbazole?
The canonical SMILES for 3,6-ditert-butyl-9-hexylcarbazole is CCCCCCn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 3,6-ditert-butyl-9-hexylcarbazole?
The InChIKey is IDTLXZGSFGWHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N/c1-8-9-10-11-16-27-23-14-12-19(25(2,3)4)17-21(23)22-18-20(26(5,6)7)13-15-24(22)27/h12-15,17-18H,8-11,16H2,1-7H3.
What are the key properties of 3,6-ditert-butyl-9-hexylcarbazole?
3,6-ditert-butyl-9-hexylcarbazole has a molecular weight of 363.59 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-hexylcarbazole is sourced from PubChem (CID 146671988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).