N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium

C51H45N3OY — CID 167485295

IUPACN-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium
SMILESC=N/C(=C\Cc1cccc(-c2ccccc2)c1)c1ccc(-c2c3ccccc3c(-c3ccc(NC)c(N(C)O)c3)c3ccccc23)cc1.Cc1ccccc1.[Y]
InChIInChI=1S/C44H37N3O.C7H8.Y/c1-45-40(26-20-30-12-11-15-34(28-30)31-13-5-4-6-14-31)32-21-23-33(24-22-32)43-36-16-7-9-18-38(36)44(39-19-10-8-17-37(39)43)35-25-27-41(46-2)42(29-35)47(3)48;1-7-5-3-2-4-6-7;/h4-19,21-29,46,48H,1,20H2,2-3H3;2-6H,1H3;/b40-26-;;
InChIKeyFSAZQRFNQFNWFL-YMYFJESHSA-N
MW804.85 g/mol
LogP13.14
Rot. Bonds9

About N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium

N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium (PubChem CID 167485295) has the molecular formula C51H45N3OY and a molecular weight of 804.85 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium
PubChem CID167485295
Molecular FormulaC51H45N3OY
Molecular Weight804.85 g/mol
Exact Mass804.26
IUPAC NameN-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium
SMILESC=N/C(=C\Cc1cccc(-c2ccccc2)c1)c1ccc(-c2c3ccccc3c(-c3ccc(NC)c(N(C)O)c3)c3ccccc23)cc1.Cc1ccccc1.[Y]
InChIInChI=1S/C44H37N3O.C7H8.Y/c1-45-40(26-20-30-12-11-15-34(28-30)31-13-5-4-6-14-31)32-21-23-33(24-22-32)43-36-16-7-9-18-38(36)44(39-19-10-8-17-37(39)43)35-25-27-41(46-2)42(29-35)47(3)48;1-7-5-3-2-4-6-7;/h4-19,21-29,46,48H,1,20H2,2-3H3;2-6H,1H3;/b40-26-;;
InChIKeyFSAZQRFNQFNWFL-YMYFJESHSA-N
XLogP13.14
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.85
LogP ≤ 513.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(2-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;yttrium
CID 167485188
N-[5-[4-[(Z)-3-cyclohexa-1,3-dien-1-yl-3-(3,6-diphenylcarbazol-9-yl)-1-(methylideneamino)prop-1-enyl]phenyl]-2-(methylamino)phenyl]-N-methylhydroxylamine;yttrium
CID 167485173
N-[(Z)-3-(3-phenylcarbazol-9-yl)-1-triphenylen-2-ylprop-1-enyl]methanimine;phenylmethanamine;toluene
CID 145299244
N-[5-[4-[(Z)-3-[4-[7,8-bis(ethenyl)phenanthren-2-yl]phenyl]-1-(methylideneamino)-3-phenylbut-1-enyl]phenyl]-2-(methylamino)phenyl]-N-methylhydroxylamine
CID 167485040
1-(3-benzylphenyl)-3-(3-methylphenyl)dibenzofuran;N-[(Z)-1,3-diphenylprop-1-enyl]methanimine;methanamine;phenylmethanamine
CID 142453100
6-amino-5-methyl-1-(3-phenylcarbazol-9-yl)-N'-[(Z)-3-phenyl-1-(4-phenylphenyl)prop-1-enyl]carbazole-9-carboximidamide;toluene
CID 145358067
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
CID 143567044
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine
CID 135245561

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium?
The IUPAC name of N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium (CID 167485295) is N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium?
The canonical SMILES for N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium is C=N/C(=C\Cc1cccc(-c2ccccc2)c1)c1ccc(-c2c3ccccc3c(-c3ccc(NC)c(N(C)O)c3)c3ccccc23)cc1.Cc1ccccc1.[Y].
What is the InChIKey of N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium?
The InChIKey is FSAZQRFNQFNWFL-YMYFJESHSA-N. The full InChI is InChI=1S/C44H37N3O.C7H8.Y/c1-45-40(26-20-30-12-11-15-34(28-30)31-13-5-4-6-14-31)32-21-23-33(24-22-32)43-36-16-7-9-18-38(36)44(39-19-10-8-17-37(39)43)35-25-27-41(46-2)42(29-35)47(3)48;1-7-5-3-2-4-6-7;/h4-19,21-29,46,48H,1,20H2,2-3H3;2-6H,1H3;/b40-26-;;.
What are the key properties of N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium?
N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium has a molecular weight of 804.85 g/mol, XLogP of 13.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-5-[10-[4-[(Z)-1-(methylideneamino)-3-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium is sourced from PubChem (CID 167485295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).