9-butyl-2,7-dimethylcarbazole

C18H21N — CID 129212268

IUPAC9-butyl-2,7-dimethylcarbazole
SMILESCCCCn1c2cc(C)ccc2c2ccc(C)cc21
InChIInChI=1S/C18H21N/c1-4-5-10-19-17-11-13(2)6-8-15(17)16-9-7-14(3)12-18(16)19/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyZTDZRZVYVLTDOI-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.21
Rot. Bonds3

About 9-butyl-2,7-dimethylcarbazole

9-butyl-2,7-dimethylcarbazole (PubChem CID 129212268) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 9-butyl-2,7-dimethylcarbazole.

Molecular Properties

Compound Name9-butyl-2,7-dimethylcarbazole
PubChem CID129212268
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name9-butyl-2,7-dimethylcarbazole
SMILESCCCCn1c2cc(C)ccc2c2ccc(C)cc21
InChIInChI=1S/C18H21N/c1-4-5-10-19-17-11-13(2)6-8-15(17)16-9-7-14(3)12-18(16)19/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyZTDZRZVYVLTDOI-UHFFFAOYSA-N
XLogP5.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Carbazole
CID 6854
Pyrvinium
CID 5281035
Latrepirdine
CID 197033
Iprindole
CID 21722
Rimcazole
CID 53389
Mebhydrolin
CID 22530
LE-300
CID 4350931
3-Amino-9-ethylcarbazole
CID 8588
Avn-101
CID 42631003
1-Methyl-1H-indole-3-ethylamine
CID 23492
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143

Frequently Asked Questions

What is the IUPAC name of 9-butyl-2,7-dimethylcarbazole?
The IUPAC name of 9-butyl-2,7-dimethylcarbazole (CID 129212268) is 9-butyl-2,7-dimethylcarbazole.
What is the SMILES notation for 9-butyl-2,7-dimethylcarbazole?
The canonical SMILES for 9-butyl-2,7-dimethylcarbazole is CCCCn1c2cc(C)ccc2c2ccc(C)cc21.
What is the InChIKey of 9-butyl-2,7-dimethylcarbazole?
The InChIKey is ZTDZRZVYVLTDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-4-5-10-19-17-11-13(2)6-8-15(17)16-9-7-14(3)12-18(16)19/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of 9-butyl-2,7-dimethylcarbazole?
9-butyl-2,7-dimethylcarbazole has a molecular weight of 251.37 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-2,7-dimethylcarbazole is sourced from PubChem (CID 129212268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).