3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one

C31H23NO2 — CID 71397195

IUPAC3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one
SMILESCn1c2cc(C=CC(=O)c3ccccc3)ccc2c2ccc(C=CC(=O)c3ccccc3)cc21
InChIInChI=1S/C31H23NO2/c1-32-28-20-22(14-18-30(33)24-8-4-2-5-9-24)12-16-26(28)27-17-13-23(21-29(27)32)15-19-31(34)25-10-6-3-7-11-25/h2-21H,1H3
InChIKeyLHMBOXJJYLAGTE-UHFFFAOYSA-N
MW441.53 g/mol
LogP7.12
Rot. Bonds6

About 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one

3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one (PubChem CID 71397195) has the molecular formula C31H23NO2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one
PubChem CID71397195
Molecular FormulaC31H23NO2
Molecular Weight441.53 g/mol
Exact Mass441.17
IUPAC Name3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one
SMILESCn1c2cc(C=CC(=O)c3ccccc3)ccc2c2ccc(C=CC(=O)c3ccccc3)cc21
InChIInChI=1S/C31H23NO2/c1-32-28-20-22(14-18-30(33)24-8-4-2-5-9-24)12-16-26(28)27-17-13-23(21-29(27)32)15-19-31(34)25-10-6-3-7-11-25/h2-21H,1H3
InChIKeyLHMBOXJJYLAGTE-UHFFFAOYSA-N
XLogP7.12
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(9-methylcarbazol-2-yl)prop-2-enamide
CID 170877567
3-(9-methylcarbazol-2-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 71397196
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
3-(3-amino-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 57146886
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one
CID 71490478
3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829
3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one
CID 118108345
3-(10-methylphenothiazin-3-yl)-1-phenylprop-2-en-1-one
CID 71367534
1-(9-methylcarbazol-3-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 3123837
(E)-3-(3-bromo-4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 24827798

Frequently Asked Questions

What is the IUPAC name of 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one?
The IUPAC name of 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one (CID 71397195) is 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one is Cn1c2cc(C=CC(=O)c3ccccc3)ccc2c2ccc(C=CC(=O)c3ccccc3)cc21.
What is the InChIKey of 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one?
The InChIKey is LHMBOXJJYLAGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO2/c1-32-28-20-22(14-18-30(33)24-8-4-2-5-9-24)12-16-26(28)27-17-13-23(21-29(27)32)15-19-31(34)25-10-6-3-7-11-25/h2-21H,1H3.
What are the key properties of 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one?
3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one has a molecular weight of 441.53 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 71397195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).