(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone

C21H18N2O — CID 118892872

IUPAC(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
SMILESCCn1c2ccc(N)cc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H18N2O/c1-2-23-19-10-8-15(21(24)14-6-4-3-5-7-14)12-17(19)18-13-16(22)9-11-20(18)23/h3-13H,2,22H2,1H3
InChIKeyGVHKAMWPSRUTQM-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.63
Rot. Bonds3

About (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone

(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone (PubChem CID 118892872) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
PubChem CID118892872
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
SMILESCCn1c2ccc(N)cc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H18N2O/c1-2-23-19-10-8-15(21(24)14-6-4-3-5-7-14)12-17(19)18-13-16(22)9-11-20(18)23/h3-13H,2,22H2,1H3
InChIKeyGVHKAMWPSRUTQM-UHFFFAOYSA-N
XLogP4.63
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

acetic acid;9-ethylcarbazol-3-amine
CID 68649355
[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxoethyl]-dimethylsulfanium
CID 59664419
(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
CID 52915293
(6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone
CID 174793768
(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane
CID 160533610
anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
CID 159856666
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
CID 70957250
(9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone
CID 141383636

Frequently Asked Questions

What is the IUPAC name of (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone?
The IUPAC name of (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone (CID 118892872) is (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone.
What is the SMILES notation for (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone?
The canonical SMILES for (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone is CCn1c2ccc(N)cc2c2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone?
The InChIKey is GVHKAMWPSRUTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-2-23-19-10-8-15(21(24)14-6-4-3-5-7-14)12-17(19)18-13-16(22)9-11-20(18)23/h3-13H,2,22H2,1H3.
What are the key properties of (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone?
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone has a molecular weight of 314.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-9-ethylcarbazol-3-yl)-phenylmethanone is sourced from PubChem (CID 118892872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).