3,4-ditert-butyl-9-methylcarbazole

C21H27N — CID 155346853

IUPAC3,4-ditert-butyl-9-methylcarbazole
SMILESCn1c2ccccc2c2c(C(C)(C)C)c(C(C)(C)C)ccc21
InChIInChI=1S/C21H27N/c1-20(2,3)15-12-13-17-18(19(15)21(4,5)6)14-10-8-9-11-16(14)22(17)7/h8-13H,1-7H3
InChIKeyFDMDBSDCZKFPER-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.93
Rot. Bonds

About 3,4-ditert-butyl-9-methylcarbazole

3,4-ditert-butyl-9-methylcarbazole (PubChem CID 155346853) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 3,4-ditert-butyl-9-methylcarbazole.

Molecular Properties

Compound Name3,4-ditert-butyl-9-methylcarbazole
PubChem CID155346853
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name3,4-ditert-butyl-9-methylcarbazole
SMILESCn1c2ccccc2c2c(C(C)(C)C)c(C(C)(C)C)ccc21
InChIInChI=1S/C21H27N/c1-20(2,3)15-12-13-17-18(19(15)21(4,5)6)14-10-8-9-11-16(14)22(17)7/h8-13H,1-7H3
InChIKeyFDMDBSDCZKFPER-UHFFFAOYSA-N
XLogP5.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-9-methylcarbazole?
The IUPAC name of 3,4-ditert-butyl-9-methylcarbazole (CID 155346853) is 3,4-ditert-butyl-9-methylcarbazole.
What is the SMILES notation for 3,4-ditert-butyl-9-methylcarbazole?
The canonical SMILES for 3,4-ditert-butyl-9-methylcarbazole is Cn1c2ccccc2c2c(C(C)(C)C)c(C(C)(C)C)ccc21.
What is the InChIKey of 3,4-ditert-butyl-9-methylcarbazole?
The InChIKey is FDMDBSDCZKFPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-20(2,3)15-12-13-17-18(19(15)21(4,5)6)14-10-8-9-11-16(14)22(17)7/h8-13H,1-7H3.
What are the key properties of 3,4-ditert-butyl-9-methylcarbazole?
3,4-ditert-butyl-9-methylcarbazole has a molecular weight of 293.45 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-9-methylcarbazole is sourced from PubChem (CID 155346853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).