2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole

C16H21N — CID 65335539

IUPAC2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1ccc(C)c2c3c([nH]c12)CC(C)CC3C
InChIInChI=1S/C16H21N/c1-9-7-12(4)14-13(8-9)17-16-11(3)6-5-10(2)15(14)16/h5-6,9,12,17H,7-8H2,1-4H3
InChIKeyQLTWFSFLGZVKJX-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.47
Rot. Bonds

About 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole

2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 65335539) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID65335539
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1ccc(C)c2c3c([nH]c12)CC(C)CC3C
InChIInChI=1S/C16H21N/c1-9-7-12(4)14-13(8-9)17-16-11(3)6-5-10(2)15(14)16/h5-6,9,12,17H,7-8H2,1-4H3
InChIKeyQLTWFSFLGZVKJX-UHFFFAOYSA-N
XLogP4.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole (CID 65335539) is 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole is Cc1ccc(C)c2c3c([nH]c12)CC(C)CC3C.
What is the InChIKey of 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is QLTWFSFLGZVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-9-7-12(4)14-13(8-9)17-16-11(3)6-5-10(2)15(14)16/h5-6,9,12,17H,7-8H2,1-4H3.
What are the key properties of 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole?
2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 227.35 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 65335539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).