methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline

C42H36N2 — CID 143688423

IUPACmethanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(CN(c4ccccc4)c4ccc(C)cc4)cc3)c3ccccc23)cc1.[H]N=C
InChIInChI=1S/C41H33N.CH3N/c1-29-16-22-32(23-17-29)40-36-12-6-8-14-38(36)41(39-15-9-7-13-37(39)40)33-24-20-31(21-25-33)28-42(34-10-4-3-5-11-34)35-26-18-30(2)19-27-35;1-2/h3-27H,28H2,1-2H3;2H,1H2
InChIKeyUSTDQWMSPFPQPT-UHFFFAOYSA-N
MW568.76 g/mol
LogP11.55
Rot. Bonds6

About methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline

methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline (PubChem CID 143688423) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline.

Molecular Properties

Compound Namemethanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline
PubChem CID143688423
Molecular FormulaC42H36N2
Molecular Weight568.76 g/mol
Exact Mass568.29
IUPAC Namemethanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(CN(c4ccccc4)c4ccc(C)cc4)cc3)c3ccccc23)cc1.[H]N=C
InChIInChI=1S/C41H33N.CH3N/c1-29-16-22-32(23-17-29)40-36-12-6-8-14-38(36)41(39-15-9-7-13-37(39)40)33-24-20-31(21-25-33)28-42(34-10-4-3-5-11-34)35-26-18-30(2)19-27-35;1-2/h3-27H,28H2,1-2H3;2H,1H2
InChIKeyUSTDQWMSPFPQPT-UHFFFAOYSA-N
XLogP11.55
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline
CID 148708974
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
CID 142315588
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline
CID 58430122
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-(4-methylphenyl)-10-(4-tritiophenyl)anthracene
CID 58151376
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364

Frequently Asked Questions

What is the IUPAC name of methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline?
The IUPAC name of methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline (CID 143688423) is methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline.
What is the SMILES notation for methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline?
The canonical SMILES for methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline is Cc1ccc(-c2c3ccccc3c(-c3ccc(CN(c4ccccc4)c4ccc(C)cc4)cc3)c3ccccc23)cc1.[H]N=C.
What is the InChIKey of methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline?
The InChIKey is USTDQWMSPFPQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N.CH3N/c1-29-16-22-32(23-17-29)40-36-12-6-8-14-38(36)41(39-15-9-7-13-37(39)40)33-24-20-31(21-25-33)28-42(34-10-4-3-5-11-34)35-26-18-30(2)19-27-35;1-2/h3-27H,28H2,1-2H3;2H,1H2.
What are the key properties of methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline?
methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline has a molecular weight of 568.76 g/mol, XLogP of 11.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline is sourced from PubChem (CID 143688423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).