(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone

C22H19NO — CID 175814606

IUPAC(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
SMILES[2H]c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C22H19NO/c1-3-23-20-11-7-6-10-18(20)19-14-16(12-13-21(19)23)22(24)17-9-5-4-8-15(17)2/h4-14H,3H2,1-2H3/i6D
InChIKeyZLRFFLHHPJOMEU-RAMDWTOOSA-N
MW314.41 g/mol
LogP5.35
Rot. Bonds3

About (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone

(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone (PubChem CID 175814606) has the molecular formula C22H19NO and a molecular weight of 314.41 g/mol. Its IUPAC name is (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
PubChem CID175814606
Molecular FormulaC22H19NO
Molecular Weight314.41 g/mol
Exact Mass314.15
IUPAC Name(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
SMILES[2H]c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C22H19NO/c1-3-23-20-11-7-6-10-18(20)19-14-16(12-13-21(19)23)22(24)17-9-5-4-8-15(17)2/h4-14H,3H2,1-2H3/i6D
InChIKeyZLRFFLHHPJOMEU-RAMDWTOOSA-N
XLogP5.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-en-1-one
CID 167229658
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one
CID 138599036
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
(6-ethyl-3-hydroxyfuro[3,2-c]carbazol-9-yl)-(2-methylphenyl)methanone
CID 123567975
[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate
CID 76569446
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]thiophen-1-ium-2-carbaldehyde
CID 172752003
1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one
CID 154285254

Frequently Asked Questions

What is the IUPAC name of (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone?
The IUPAC name of (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone (CID 175814606) is (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone is [2H]c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.
What is the InChIKey of (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone?
The InChIKey is ZLRFFLHHPJOMEU-RAMDWTOOSA-N. The full InChI is InChI=1S/C22H19NO/c1-3-23-20-11-7-6-10-18(20)19-14-16(12-13-21(19)23)22(24)17-9-5-4-8-15(17)2/h4-14H,3H2,1-2H3/i6D.
What are the key properties of (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone?
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone has a molecular weight of 314.41 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 175814606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).