(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline

C62H50N4O2 — CID 143904949

IUPAC(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline
SMILES[H]/N=C(/C=C(\N)c1ccccc1)c1ccccc1.[H]/N=C(/C=C(\Nc1cccc(-c2ccc(OC)c(-c3ccc4c(c3)oc3ccc(-c5cccc(C)c5)cc34)c2)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C47H36N2O2.C15H14N2/c1-31-11-9-16-34(25-31)37-21-24-46-42(28-37)40-22-19-38(29-47(40)51-46)41-27-36(20-23-45(41)50-2)35-17-10-18-39(26-35)49-44(33-14-7-4-8-15-33)30-43(48)32-12-5-3-6-13-32;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h3-30,48-49H,1-2H3;1-11,16H,17H2/b44-30-,48-43-;15-11-,16-14-
InChIKeyKDWGAFQJFZMKFO-RDIKKQIISA-N
MW883.11 g/mol
LogP15.48
Rot. Bonds12

About (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline

(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline (PubChem CID 143904949) has the molecular formula C62H50N4O2 and a molecular weight of 883.11 g/mol. Its IUPAC name is (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline.

Molecular Properties

Compound Name(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline
PubChem CID143904949
Molecular FormulaC62H50N4O2
Molecular Weight883.11 g/mol
Exact Mass882.39
IUPAC Name(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline
SMILES[H]/N=C(/C=C(\N)c1ccccc1)c1ccccc1.[H]/N=C(/C=C(\Nc1cccc(-c2ccc(OC)c(-c3ccc4c(c3)oc3ccc(-c5cccc(C)c5)cc34)c2)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C47H36N2O2.C15H14N2/c1-31-11-9-16-34(25-31)37-21-24-46-42(28-37)40-22-19-38(29-47(40)51-46)41-27-36(20-23-45(41)50-2)35-17-10-18-39(26-35)49-44(33-14-7-4-8-15-33)30-43(48)32-12-5-3-6-13-32;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h3-30,48-49H,1-2H3;1-11,16H,17H2/b44-30-,48-43-;15-11-,16-14-
InChIKeyKDWGAFQJFZMKFO-RDIKKQIISA-N
XLogP15.48
TPSA108.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.11
LogP ≤ 515.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
CID 145412712
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713
(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine
CID 145447951
(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole
CID 145077194
6-[4-[(Z)-3-amino-3-[4-[(3Z)-5-iminopenta-1,3-dien-2-yl]phenyl]prop-2-enimidoyl]phenyl]-N-(2-ethenyl-4-methylphenyl)dibenzofuran-2-amine;toluene
CID 145083062
3-(3-methylphenyl)dibenzofuran
CID 70924364
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
CID 143904784
[(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine
CID 143904585
(Z)-3-(10-dibenzofuran-3-yltriphenylen-1-yl)-N'-methylidene-1-(4-phenylphenyl)prop-2-ene-1,3-diimine
CID 145452578
2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile
CID 146353730
ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine
CID 144803315
(Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene
CID 145334582

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline?
The IUPAC name of (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline (CID 143904949) is (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline.
What is the SMILES notation for (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline?
The canonical SMILES for (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline is [H]/N=C(/C=C(\N)c1ccccc1)c1ccccc1.[H]/N=C(/C=C(\Nc1cccc(-c2ccc(OC)c(-c3ccc4c(c3)oc3ccc(-c5cccc(C)c5)cc34)c2)c1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline?
The InChIKey is KDWGAFQJFZMKFO-RDIKKQIISA-N. The full InChI is InChI=1S/C47H36N2O2.C15H14N2/c1-31-11-9-16-34(25-31)37-21-24-46-42(28-37)40-22-19-38(29-47(40)51-46)41-27-36(20-23-45(41)50-2)35-17-10-18-39(26-35)49-44(33-14-7-4-8-15-33)30-43(48)32-12-5-3-6-13-32;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h3-30,48-49H,1-2H3;1-11,16H,17H2/b44-30-,48-43-;15-11-,16-14-.
What are the key properties of (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline?
(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline has a molecular weight of 883.11 g/mol, XLogP of 15.48, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline is sourced from PubChem (CID 143904949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).