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

C48H42N4OY — CID 167485173

IUPACN-[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
SMILESC=N/C(=C\C(C1=CC=CCC1)n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21)c1ccc(-c2ccc(NC)c(N(C)O)c2)cc1.[Y]
InChIInChI=1S/C48H42N4O.Y/c1-49-43-26-23-40(31-48(43)51(3)53)35-19-21-36(22-20-35)44(50-2)32-47(37-17-11-6-12-18-37)52-45-27-24-38(33-13-7-4-8-14-33)29-41(45)42-30-39(25-28-46(42)52)34-15-9-5-10-16-34;/h4-11,13-17,19-32,47,49,53H,2,12,18H2,1,3H3;/b44-32-;
InChIKeyQWNIZFKVXOMPNN-HITBFECMSA-N
MW779.80 g/mol
LogP12.22
Rot. Bonds10

About 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

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 (PubChem CID 167485173) has the molecular formula C48H42N4OY and a molecular weight of 779.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167485173
Molecular FormulaC48H42N4OY
Molecular Weight779.80 g/mol
Exact Mass779.24
IUPAC NameN-[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
SMILESC=N/C(=C\C(C1=CC=CCC1)n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21)c1ccc(-c2ccc(NC)c(N(C)O)c2)cc1.[Y]
InChIInChI=1S/C48H42N4O.Y/c1-49-43-26-23-40(31-48(43)51(3)53)35-19-21-36(22-20-35)44(50-2)32-47(37-17-11-6-12-18-37)52-45-27-24-38(33-13-7-4-8-14-33)29-41(45)42-30-39(25-28-46(42)52)34-15-9-5-10-16-34;/h4-11,13-17,19-32,47,49,53H,2,12,18H2,1,3H3;/b44-32-;
InChIKeyQWNIZFKVXOMPNN-HITBFECMSA-N
XLogP12.22
TPSA52.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.80
LogP ≤ 512.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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CID 167485188
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
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CID 167485040
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CID 167485573
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CID 145373782
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9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
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5,10-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162740169

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=N/C(=C\C(C1=CC=CCC1)n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21)c1ccc(-c2ccc(NC)c(N(C)O)c2)cc1.[Y].
What is the InChIKey of 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?
The InChIKey is QWNIZFKVXOMPNN-HITBFECMSA-N. The full InChI is InChI=1S/C48H42N4O.Y/c1-49-43-26-23-40(31-48(43)51(3)53)35-19-21-36(22-20-35)44(50-2)32-47(37-17-11-6-12-18-37)52-45-27-24-38(33-13-7-4-8-14-33)29-41(45)42-30-39(25-28-46(42)52)34-15-9-5-10-16-34;/h4-11,13-17,19-32,47,49,53H,2,12,18H2,1,3H3;/b44-32-;.
What are the key properties of 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?
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 has a molecular weight of 779.80 g/mol, XLogP of 12.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167485173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).