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

C50H41N3OY — CID 167485188

IUPACN-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
SMILESC=N/C(=C\C(c1ccccc1)c1ccccc1-c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(NC)c(N(C)O)c3)c3ccccc23)cc1.[Y]
InChIInChI=1S/C50H41N3O.Y/c1-51-46-31-30-38(32-48(46)53(3)54)50-43-24-14-12-22-41(43)49(42-23-13-15-25-44(42)50)37-28-26-36(27-29-37)47(52-2)33-45(35-18-8-5-9-19-35)40-21-11-10-20-39(40)34-16-6-4-7-17-34;/h4-33,45,51,54H,2H2,1,3H3;/b47-33-;
InChIKeyGIGQWLBSXLFUKW-QIXMSHGVSA-N
MW788.80 g/mol
LogP12.73
Rot. Bonds10

About 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

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 (PubChem CID 167485188) has the molecular formula C50H41N3OY and a molecular weight of 788.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID167485188
Molecular FormulaC50H41N3OY
Molecular Weight788.80 g/mol
Exact Mass788.23
IUPAC NameN-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
SMILESC=N/C(=C\C(c1ccccc1)c1ccccc1-c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(NC)c(N(C)O)c3)c3ccccc23)cc1.[Y]
InChIInChI=1S/C50H41N3O.Y/c1-51-46-31-30-38(32-48(46)53(3)54)50-43-24-14-12-22-41(43)49(42-23-13-15-25-44(42)50)37-28-26-36(27-29-37)47(52-2)33-45(35-18-8-5-9-19-35)40-21-11-10-20-39(40)34-16-6-4-7-17-34;/h4-33,45,51,54H,2H2,1,3H3;/b47-33-;
InChIKeyGIGQWLBSXLFUKW-QIXMSHGVSA-N
XLogP12.73
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.80
LogP ≤ 512.73
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-(3-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;toluene;yttrium
CID 167485295
N-methyl-N-[2-(methylamino)-4-[10-[3-[N'-[N-(1-phenylethenyl)-C-(2-phenylphenyl)carbonimidoyl]carbamimidoyl]phenyl]anthracen-9-yl]phenyl]formamide
CID 167485149
9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837329
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
1-N,2-N-dimethyl-2-N-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]benzene-1,2-diamine;ethane
CID 145412917
9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene
CID 123974546
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
hydroxy-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]phosphanium
CID 129174509
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=N/C(=C\C(c1ccccc1)c1ccccc1-c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(NC)c(N(C)O)c3)c3ccccc23)cc1.[Y].
What is the InChIKey of 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?
The InChIKey is GIGQWLBSXLFUKW-QIXMSHGVSA-N. The full InChI is InChI=1S/C50H41N3O.Y/c1-51-46-31-30-38(32-48(46)53(3)54)50-43-24-14-12-22-41(43)49(42-23-13-15-25-44(42)50)37-28-26-36(27-29-37)47(52-2)33-45(35-18-8-5-9-19-35)40-21-11-10-20-39(40)34-16-6-4-7-17-34;/h4-33,45,51,54H,2H2,1,3H3;/b47-33-;.
What are the key properties of 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?
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 has a molecular weight of 788.80 g/mol, XLogP of 12.73, 10 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-phenyl-3-(2-phenylphenyl)prop-1-enyl]phenyl]anthracen-9-yl]phenyl]hydroxylamine;yttrium is sourced from PubChem (CID 167485188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).