(E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one

C34H25NO2 — CID 141277164

IUPAC(E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1)c1ccccc1
InChIInChI=1S/C34H25NO2/c36-33(27-7-2-1-3-8-27)22-17-24-15-20-28(21-16-24)37-23-25-13-18-26(19-14-25)29-10-6-11-31-30-9-4-5-12-32(30)35-34(29)31/h1-22,35H,23H2/b22-17+
InChIKeyYDELFZZHHMAYSI-OQKWZONESA-N
MW479.58 g/mol
LogP8.46
Rot. Bonds7

About (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one

(E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one (PubChem CID 141277164) has the molecular formula C34H25NO2 and a molecular weight of 479.58 g/mol. Its IUPAC name is (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one
PubChem CID141277164
Molecular FormulaC34H25NO2
Molecular Weight479.58 g/mol
Exact Mass479.19
IUPAC Name(E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1)c1ccccc1
InChIInChI=1S/C34H25NO2/c36-33(27-7-2-1-3-8-27)22-17-24-15-20-28(21-16-24)37-23-25-13-18-26(19-14-25)29-10-6-11-31-30-9-4-5-12-32(30)35-34(29)31/h1-22,35H,23H2/b22-17+
InChIKeyYDELFZZHHMAYSI-OQKWZONESA-N
XLogP8.46
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate
CID 7946008
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 53405756
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173
(E)-1-[2,6-bis(phenylmethoxy)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 10578039
3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one
CID 174731066
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
(E)-3-[4-[8-(4-ethenylphenyl)octoxy]phenyl]-1-phenylprop-2-en-1-one
CID 22026801
1-[4-(4-pentylphenyl)phenyl]-3-(4-undecoxyphenyl)prop-2-en-1-one
CID 91073436
(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175177
(E)-1-(4-fluorophenyl)-3-[4-[2-[4-[4-(methoxymethyl)phenyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one
CID 58289286
(E)-1-(1-methylpyrazol-4-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19543215

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one (CID 141277164) is (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one is O=C(/C=C/c1ccc(OCc2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is YDELFZZHHMAYSI-OQKWZONESA-N. The full InChI is InChI=1S/C34H25NO2/c36-33(27-7-2-1-3-8-27)22-17-24-15-20-28(21-16-24)37-23-25-13-18-26(19-14-25)29-10-6-11-31-30-9-4-5-12-32(30)35-34(29)31/h1-22,35H,23H2/b22-17+.
What are the key properties of (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one?
(E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 479.58 g/mol, XLogP of 8.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[4-(9H-carbazol-1-yl)phenyl]methoxy]phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 141277164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).