[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone

C25H25NO — CID 70957250

IUPAC[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
SMILESCCC(CC)Cn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H25NO/c1-3-18(4-2)17-26-23-13-9-8-12-21(23)22-16-20(14-15-24(22)26)25(27)19-10-6-5-7-11-19/h5-16,18H,3-4,17H2,1-2H3
InChIKeyFIWUVVPDERDBST-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.46
Rot. Bonds6

About [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone

[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone (PubChem CID 70957250) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
PubChem CID70957250
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
SMILESCCC(CC)Cn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H25NO/c1-3-18(4-2)17-26-23-13-9-8-12-21(23)22-16-20(14-15-24(22)26)25(27)19-10-6-5-7-11-19/h5-16,18H,3-4,17H2,1-2H3
InChIKeyFIWUVVPDERDBST-UHFFFAOYSA-N
XLogP6.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone?
The IUPAC name of [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone (CID 70957250) is [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone.
What is the SMILES notation for [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone?
The canonical SMILES for [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone is CCC(CC)Cn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone?
The InChIKey is FIWUVVPDERDBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-3-18(4-2)17-26-23-13-9-8-12-21(23)22-16-20(14-15-24(22)26)25(27)19-10-6-5-7-11-19/h5-16,18H,3-4,17H2,1-2H3.
What are the key properties of [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone?
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone has a molecular weight of 355.48 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone is sourced from PubChem (CID 70957250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).