6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole

C16H17N — CID 175932907

IUPAC6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3ccc(C(C)(C)C)cc32)c1[2H]
InChIInChI=1S/C16H17N/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h4-10,17H,1-3H3/i4D,5D,6D,7D
InChIKeyTYXSZNGDCCGIBO-UGWFXTGHSA-N
MW227.34 g/mol
LogP4.62
Rot. Bonds

About 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole

6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole (PubChem CID 175932907) has the molecular formula C16H17N and a molecular weight of 227.34 g/mol. Its IUPAC name is 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole.

Molecular Properties

Compound Name6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole
PubChem CID175932907
Molecular FormulaC16H17N
Molecular Weight227.34 g/mol
Exact Mass227.16
IUPAC Name6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3ccc(C(C)(C)C)cc32)c1[2H]
InChIInChI=1S/C16H17N/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h4-10,17H,1-3H3/i4D,5D,6D,7D
InChIKeyTYXSZNGDCCGIBO-UGWFXTGHSA-N
XLogP4.62
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-tert-butyl-6-(2-methyl-1,1-diphenylpropyl)-9H-carbazole
CID 67477492
6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one
CID 54891238
2,7-ditert-butyl-9H-carbazole;hydrobromide
CID 175936620
6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde
CID 71481983
6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole
CID 166453411
3,6-bis(3,5-ditert-butylphenyl)-9H-carbazole
CID 137368303
3,6-ditert-butyl-9-[6-(3-tert-butyl-6-methylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole
CID 153353487
6-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 59436669
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
1,2,3-trideuterio-9H-carbazole
CID 175863315
5-tert-butyl-3-propan-2-yl-1H-indole-2-carboxylic acid
CID 84637821
6-tert-butyl-2-ethyl-1H-quinolin-4-one
CID 43668294

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole?
The IUPAC name of 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole (CID 175932907) is 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole.
What is the SMILES notation for 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole?
The canonical SMILES for 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole is [2H]c1c([2H])c([2H])c2c([nH]c3ccc(C(C)(C)C)cc32)c1[2H].
What is the InChIKey of 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole?
The InChIKey is TYXSZNGDCCGIBO-UGWFXTGHSA-N. The full InChI is InChI=1S/C16H17N/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h4-10,17H,1-3H3/i4D,5D,6D,7D.
What are the key properties of 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole?
6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole has a molecular weight of 227.34 g/mol, XLogP of 4.62, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2,3,4-tetradeuterio-9H-carbazole is sourced from PubChem (CID 175932907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).