(Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine

C23H19NO — CID 145299478

IUPAC(Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine
SMILESC/N=C/C(=C\Cc1cccc2c1oc1ccccc12)c1ccccc1
InChIInChI=1S/C23H19NO/c1-24-16-19(17-8-3-2-4-9-17)15-14-18-10-7-12-21-20-11-5-6-13-22(20)25-23(18)21/h2-13,15-16H,14H2,1H3/b19-15+,24-16+
InChIKeyQEIHMAGOMHNCCI-NZWMEJTDSA-N
MW325.41 g/mol
LogP5.91
Rot. Bonds4

About (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine

(Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine (PubChem CID 145299478) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine
PubChem CID145299478
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name(Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine
SMILESC/N=C/C(=C\Cc1cccc2c1oc1ccccc12)c1ccccc1
InChIInChI=1S/C23H19NO/c1-24-16-19(17-8-3-2-4-9-17)15-14-18-10-7-12-21-20-11-5-6-13-22(20)25-23(18)21/h2-13,15-16H,14H2,1H3/b19-15+,24-16+
InChIKeyQEIHMAGOMHNCCI-NZWMEJTDSA-N
XLogP5.91
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

dibenzofuran-4-ylmethanamine
CID 82606963
4-pent-2-en-2-yldibenzofuran
CID 123566469
4-prop-2-enylxanthen-9-one
CID 19102968
1-dibenzofuran-4-ylethanone
CID 15691981
2-(9-oxoxanthen-4-yl)acetic acid;propane
CID 91358687
4-but-1-enyldibenzofuran
CID 154131929
4-ethylxanthen-9-one
CID 15075530
[[[(dibenzofuran-4-ylmethylamino)-phenylmethylidene]amino]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]methylidene]nickel
CID 162362859
3-prop-2-enyldibenzofuran-4-ol
CID 59860896
4-dibenzofuran-4-ylbut-3-en-1-ol
CID 170477506
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
N-dibenzofuran-4-ylpropanamide
CID 138533625

Frequently Asked Questions

What is the IUPAC name of (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine?
The IUPAC name of (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine (CID 145299478) is (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine.
What is the SMILES notation for (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine?
The canonical SMILES for (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine is C/N=C/C(=C\Cc1cccc2c1oc1ccccc12)c1ccccc1.
What is the InChIKey of (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine?
The InChIKey is QEIHMAGOMHNCCI-NZWMEJTDSA-N. The full InChI is InChI=1S/C23H19NO/c1-24-16-19(17-8-3-2-4-9-17)15-14-18-10-7-12-21-20-11-5-6-13-22(20)25-23(18)21/h2-13,15-16H,14H2,1H3/b19-15+,24-16+.
What are the key properties of (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine?
(Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine has a molecular weight of 325.41 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-dibenzofuran-4-yl-N-methyl-2-phenylbut-2-en-1-imine is sourced from PubChem (CID 145299478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).