9-[(E)-3,3-dimethylbut-1-enyl]carbazole

C18H19N — CID 138965520

IUPAC9-[(E)-3,3-dimethylbut-1-enyl]carbazole
SMILESCC(C)(C)/C=C/n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H19N/c1-18(2,3)12-13-19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-13H,1-3H3/b13-12+
InChIKeyDJSXADKQZUGKGA-OUKQBFOZSA-N
MW249.36 g/mol
LogP5.31
Rot. Bonds1

About 9-[(E)-3,3-dimethylbut-1-enyl]carbazole

9-[(E)-3,3-dimethylbut-1-enyl]carbazole (PubChem CID 138965520) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 9-[(E)-3,3-dimethylbut-1-enyl]carbazole.

Molecular Properties

Compound Name9-[(E)-3,3-dimethylbut-1-enyl]carbazole
PubChem CID138965520
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name9-[(E)-3,3-dimethylbut-1-enyl]carbazole
SMILESCC(C)(C)/C=C/n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H19N/c1-18(2,3)12-13-19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-13H,1-3H3/b13-12+
InChIKeyDJSXADKQZUGKGA-OUKQBFOZSA-N
XLogP5.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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9-(2-phenylethenyl)carbazole
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9-ethenyl-3-iodocarbazole
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9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole
CID 138491975
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ethane;bis(9-methylcarbazole)
CID 159710949
2,2-dimethylpropane;triphenylene
CID 143354437
4-[(9-ethenylcarbazol-3-yl)amino]phenol
CID 56994296
1-carbazol-9-yl-N-phenylmethanimine
CID 156861603
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
9-hepta-2,4,6-trien-2-ylcarbazole
CID 123951292

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-3,3-dimethylbut-1-enyl]carbazole?
The IUPAC name of 9-[(E)-3,3-dimethylbut-1-enyl]carbazole (CID 138965520) is 9-[(E)-3,3-dimethylbut-1-enyl]carbazole.
What is the SMILES notation for 9-[(E)-3,3-dimethylbut-1-enyl]carbazole?
The canonical SMILES for 9-[(E)-3,3-dimethylbut-1-enyl]carbazole is CC(C)(C)/C=C/n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[(E)-3,3-dimethylbut-1-enyl]carbazole?
The InChIKey is DJSXADKQZUGKGA-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H19N/c1-18(2,3)12-13-19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-13H,1-3H3/b13-12+.
What are the key properties of 9-[(E)-3,3-dimethylbut-1-enyl]carbazole?
9-[(E)-3,3-dimethylbut-1-enyl]carbazole has a molecular weight of 249.36 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-3,3-dimethylbut-1-enyl]carbazole is sourced from PubChem (CID 138965520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).