9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole

C21H18N2 — CID 155564185

IUPAC9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole
SMILESC=C(c1ccnc(C)c1)c1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C21H18N2/c1-14-12-17(10-11-22-14)15(2)16-8-9-21-19(13-16)18-6-4-5-7-20(18)23(21)3/h4-13H,2H2,1,3H3
InChIKeyXINRAEYYJNLIFF-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.10
Rot. Bonds2

About 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole

9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole (PubChem CID 155564185) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole
PubChem CID155564185
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole
SMILESC=C(c1ccnc(C)c1)c1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C21H18N2/c1-14-12-17(10-11-22-14)15(2)16-8-9-21-19(13-16)18-6-4-5-7-20(18)23(21)3/h4-13H,2H2,1,3H3
InChIKeyXINRAEYYJNLIFF-UHFFFAOYSA-N
XLogP5.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole?
The IUPAC name of 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole (CID 155564185) is 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole.
What is the SMILES notation for 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole?
The canonical SMILES for 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole is C=C(c1ccnc(C)c1)c1ccc2c(c1)c1ccccc1n2C.
What is the InChIKey of 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole?
The InChIKey is XINRAEYYJNLIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-14-12-17(10-11-22-14)15(2)16-8-9-21-19(13-16)18-6-4-5-7-20(18)23(21)3/h4-13H,2H2,1,3H3.
What are the key properties of 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole?
9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole has a molecular weight of 298.39 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole is sourced from PubChem (CID 155564185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).