(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene

C29H28N2 — CID 145412712

IUPAC(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
SMILESCc1ccccc1.[H]/N=C(/C=C(\N)c1ccc(-c2cccc(C)c2)cc1)c1ccccc1
InChIInChI=1S/C22H20N2.C7H8/c1-16-6-5-9-20(14-16)17-10-12-19(13-11-17)22(24)15-21(23)18-7-3-2-4-8-18;1-7-5-3-2-4-6-7/h2-15,23H,24H2,1H3;2-6H,1H3/b22-15-,23-21-;
InChIKeyQVYSLIZINUEBPK-IQFMAAPMSA-N
MW404.56 g/mol
LogP7.02
Rot. Bonds4

About (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene

(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene (PubChem CID 145412712) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene.

Molecular Properties

Compound Name(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
PubChem CID145412712
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC Name(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
SMILESCc1ccccc1.[H]/N=C(/C=C(\N)c1ccc(-c2cccc(C)c2)cc1)c1ccccc1
InChIInChI=1S/C22H20N2.C7H8/c1-16-6-5-9-20(14-16)17-10-12-19(13-11-17)22(24)15-21(23)18-7-3-2-4-8-18;1-7-5-3-2-4-6-7/h2-15,23H,24H2,1H3;2-6H,1H3/b22-15-,23-21-;
InChIKeyQVYSLIZINUEBPK-IQFMAAPMSA-N
XLogP7.02
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
CID 145412713
(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole
CID 145077194
(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
(Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine
CID 155482813
(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
ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine
CID 144803315
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine
CID 154033384
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
methanamine;1-methyl-3-phenylbenzene
CID 145414985
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
benzene;(Z)-3-imino-3-phenyl-1-[3-[3-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]phenyl]prop-1-en-1-amine
CID 142293873

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene?
The IUPAC name of (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene (CID 145412712) is (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene.
What is the SMILES notation for (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene?
The canonical SMILES for (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene is Cc1ccccc1.[H]/N=C(/C=C(\N)c1ccc(-c2cccc(C)c2)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene?
The InChIKey is QVYSLIZINUEBPK-IQFMAAPMSA-N. The full InChI is InChI=1S/C22H20N2.C7H8/c1-16-6-5-9-20(14-16)17-10-12-19(13-11-17)22(24)15-21(23)18-7-3-2-4-8-18;1-7-5-3-2-4-6-7/h2-15,23H,24H2,1H3;2-6H,1H3/b22-15-,23-21-;.
What are the key properties of (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene?
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene has a molecular weight of 404.56 g/mol, XLogP of 7.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene is sourced from PubChem (CID 145412712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).