N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol

C59H50N4O — CID 167703041

IUPACN,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol
SMILESCC/C=N/c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.Cc1cc(/C=N/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)ccc1O
InChIInChI=1S/C32H26N2O.C27H24N2/c1-24-22-25(12-21-32(24)35)23-33-28-17-13-26(14-18-28)27-15-19-31(20-16-27)34(29-8-4-2-5-9-29)30-10-6-3-7-11-30;1-2-21-28-24-17-13-22(14-18-24)23-15-19-27(20-16-23)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h2-23,35H,1H3;3-21H,2H2,1H3/b33-23+;28-21+
InChIKeyYRKDRHYWDXVDGK-MSSIZPHHSA-N
MW831.08 g/mol
LogP16.52
Rot. Bonds12

About N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol

N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol (PubChem CID 167703041) has the molecular formula C59H50N4O and a molecular weight of 831.08 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol
PubChem CID167703041
Molecular FormulaC59H50N4O
Molecular Weight831.08 g/mol
Exact Mass830.40
IUPAC NameN,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol
SMILESCC/C=N/c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.Cc1cc(/C=N/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)ccc1O
InChIInChI=1S/C32H26N2O.C27H24N2/c1-24-22-25(12-21-32(24)35)23-33-28-17-13-26(14-18-28)27-15-19-31(20-16-27)34(29-8-4-2-5-9-29)30-10-6-3-7-11-30;1-2-21-28-24-17-13-22(14-18-24)23-15-19-27(20-16-23)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h2-23,35H,1H3;3-21H,2H2,1H3/b33-23+;28-21+
InChIKeyYRKDRHYWDXVDGK-MSSIZPHHSA-N
XLogP16.52
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.08
LogP ≤ 516.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxyphenyl)iminomethyl]-2-methylphenol
CID 156775651
3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline
CID 22967567
1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol
CID 163519230
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 25041425
2-methyl-4-(methyliminomethyl)phenol
CID 137125843
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-[(3-phenylphenyl)methylideneamino]phenol
CID 4862070

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol?
The IUPAC name of N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol (CID 167703041) is N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol?
The canonical SMILES for N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol is CC/C=N/c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.Cc1cc(/C=N/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)ccc1O.
What is the InChIKey of N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol?
The InChIKey is YRKDRHYWDXVDGK-MSSIZPHHSA-N. The full InChI is InChI=1S/C32H26N2O.C27H24N2/c1-24-22-25(12-21-32(24)35)23-33-28-17-13-26(14-18-28)27-15-19-31(20-16-27)34(29-8-4-2-5-9-29)30-10-6-3-7-11-30;1-2-21-28-24-17-13-22(14-18-24)23-15-19-27(20-16-23)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h2-23,35H,1H3;3-21H,2H2,1H3/b33-23+;28-21+.
What are the key properties of N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol?
N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol has a molecular weight of 831.08 g/mol, XLogP of 16.52, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-(propylideneamino)phenyl]aniline;2-methyl-4-[[4-[4-(N-phenylanilino)phenyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 167703041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).