(E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene

C67H85NO3S — CID 144969357

IUPAC(E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene
SMILESC/C=C\c1ccc2c(c1C)CC(C)S2.C=C(/N=C(\C=C(/C)c1ccc(C)cc1)c1ccc2oc3ccccc3c2c1)c1cccc(-c2ccccc2)c1.C=CC.CC.COC(C)(C)C.COC(C)(C)C(C)C
InChIInChI=1S/C37H29NO.C13H16S.C7H16O.C5H12O.C3H6.C2H6/c1-25-16-18-28(19-17-25)26(2)22-35(32-20-21-37-34(24-32)33-14-7-8-15-36(33)39-37)38-27(3)30-12-9-13-31(23-30)29-10-5-4-6-11-29;1-4-5-11-6-7-13-12(10(11)3)8-9(2)14-13;1-6(2)7(3,4)8-5;1-5(2,3)6-4;1-3-2;1-2/h4-24H,3H2,1-2H3;4-7,9H,8H2,1-3H3;6H,1-5H3;1-4H3;3H,1H2,2H3;1-2H3/b26-22+,38-35+;5-4-;;;;
InChIKeySCEKTFKFZVPLOW-LVCGQDEBSA-N
MW984.49 g/mol
LogP19.91
Rot. Bonds9

About (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene

(E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene (PubChem CID 144969357) has the molecular formula C67H85NO3S and a molecular weight of 984.49 g/mol. Its IUPAC name is (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene.

Molecular Properties

Compound Name(E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene
PubChem CID144969357
Molecular FormulaC67H85NO3S
Molecular Weight984.49 g/mol
Exact Mass983.63
IUPAC Name(E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene
SMILESC/C=C\c1ccc2c(c1C)CC(C)S2.C=C(/N=C(\C=C(/C)c1ccc(C)cc1)c1ccc2oc3ccccc3c2c1)c1cccc(-c2ccccc2)c1.C=CC.CC.COC(C)(C)C.COC(C)(C)C(C)C
InChIInChI=1S/C37H29NO.C13H16S.C7H16O.C5H12O.C3H6.C2H6/c1-25-16-18-28(19-17-25)26(2)22-35(32-20-21-37-34(24-32)33-14-7-8-15-36(33)39-37)38-27(3)30-12-9-13-31(23-30)29-10-5-4-6-11-29;1-4-5-11-6-7-13-12(10(11)3)8-9(2)14-13;1-6(2)7(3,4)8-5;1-5(2,3)6-4;1-3-2;1-2/h4-24H,3H2,1-2H3;4-7,9H,8H2,1-3H3;6H,1-5H3;1-4H3;3H,1H2,2H3;1-2H3/b26-22+,38-35+;5-4-;;;;
InChIKeySCEKTFKFZVPLOW-LVCGQDEBSA-N
XLogP19.91
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.49
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene with MolForge

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Related Compounds

(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
CID 166864208
(E)-3-phenyl-N-(1-phenylethenyl)-1-[6-(3-phenylphenyl)dibenzofuran-1-yl]but-2-en-1-imine
CID 139418385
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran
CID 144925010
1-ethyl-2-(2-methylphenyl)benzene;(E)-3-[3-(4-methylphenyl)phenyl]-1-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
CID 143905972
1-[3-(4-methylphenyl)phenyl]-N-[(1Z)-3-(4-methylphenyl)-1-phenylbuta-1,3-dienyl]ethanimine
CID 144588515
2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol
CID 163980863
(E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine
CID 167072450
dibenzofuran-2-yl-(3-phenylphenyl)methanimine
CID 167230437
2-prop-1-en-2-yldibenzofuran
CID 142504770
N-[(1Z)-3-dibenzofuran-3-yl-1-[3-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]buta-1,3-dienyl]-1-phenylethanimine
CID 163822470
2-[3-[9-(4-tert-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran;2-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran;2-[3-[9-(4-methylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran
CID 161222040
3-[4-[(E)-4-methoxy-4-oxobut-2-en-2-yl]phenyl]benzoic acid
CID 82543496

Frequently Asked Questions

What is the IUPAC name of (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene?
The IUPAC name of (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene (CID 144969357) is (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene.
What is the SMILES notation for (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene?
The canonical SMILES for (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene is C/C=C\c1ccc2c(c1C)CC(C)S2.C=C(/N=C(\C=C(/C)c1ccc(C)cc1)c1ccc2oc3ccccc3c2c1)c1cccc(-c2ccccc2)c1.C=CC.CC.COC(C)(C)C.COC(C)(C)C(C)C.
What is the InChIKey of (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene?
The InChIKey is SCEKTFKFZVPLOW-LVCGQDEBSA-N. The full InChI is InChI=1S/C37H29NO.C13H16S.C7H16O.C5H12O.C3H6.C2H6/c1-25-16-18-28(19-17-25)26(2)22-35(32-20-21-37-34(24-32)33-14-7-8-15-36(33)39-37)38-27(3)30-12-9-13-31(23-30)29-10-5-4-6-11-29;1-4-5-11-6-7-13-12(10(11)3)8-9(2)14-13;1-6(2)7(3,4)8-5;1-5(2,3)6-4;1-3-2;1-2/h4-24H,3H2,1-2H3;4-7,9H,8H2,1-3H3;6H,1-5H3;1-4H3;3H,1H2,2H3;1-2H3/b26-22+,38-35+;5-4-;;;;.
What are the key properties of (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene?
(E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene has a molecular weight of 984.49 g/mol, XLogP of 19.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene is sourced from PubChem (CID 144969357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).