3,4-ditert-butyl-9H-carbazole

C20H25N — CID 141464805

IUPAC3,4-ditert-butyl-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3ccccc3c2c1C(C)(C)C
InChIInChI=1S/C20H25N/c1-19(2,3)14-11-12-16-17(18(14)20(4,5)6)13-9-7-8-10-15(13)21-16/h7-12,21H,1-6H3
InChIKeyOJTRWZRUGNZHFU-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.92
Rot. Bonds

About 3,4-ditert-butyl-9H-carbazole

3,4-ditert-butyl-9H-carbazole (PubChem CID 141464805) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3,4-ditert-butyl-9H-carbazole.

Molecular Properties

Compound Name3,4-ditert-butyl-9H-carbazole
PubChem CID141464805
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3,4-ditert-butyl-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3ccccc3c2c1C(C)(C)C
InChIInChI=1S/C20H25N/c1-19(2,3)14-11-12-16-17(18(14)20(4,5)6)13-9-7-8-10-15(13)21-16/h7-12,21H,1-6H3
InChIKeyOJTRWZRUGNZHFU-UHFFFAOYSA-N
XLogP5.92
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-ditert-butyl-1H-indole
CID 22374639
3,4-ditert-butyl-1H-quinolin-2-one
CID 58782577
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole
CID 66668984
3,4-ditert-butyl-9-methylcarbazole
CID 155346853
3-ethyl-9H-carbazol-4-ol
CID 163569607
3-methyl-9H-carbazol-4-ol
CID 11116991
4-methoxy-3-methyl-9H-carbazole
CID 169091963
bromomethane;9H-carbazole
CID 67594562
5-tert-butyl-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 136823596
4-(2,2-dimethylpropoxy)-9H-carbazole
CID 59827319

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-9H-carbazole?
The IUPAC name of 3,4-ditert-butyl-9H-carbazole (CID 141464805) is 3,4-ditert-butyl-9H-carbazole.
What is the SMILES notation for 3,4-ditert-butyl-9H-carbazole?
The canonical SMILES for 3,4-ditert-butyl-9H-carbazole is CC(C)(C)c1ccc2[nH]c3ccccc3c2c1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-9H-carbazole?
The InChIKey is OJTRWZRUGNZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-19(2,3)14-11-12-16-17(18(14)20(4,5)6)13-9-7-8-10-15(13)21-16/h7-12,21H,1-6H3.
What are the key properties of 3,4-ditert-butyl-9H-carbazole?
3,4-ditert-butyl-9H-carbazole has a molecular weight of 279.43 g/mol, XLogP of 5.92, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-9H-carbazole is sourced from PubChem (CID 141464805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).