N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline

C37H34N2 — CID 143684827

IUPACN-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline
SMILESC/C(=C\C=C(/C)N(C)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C37H34N2/c1-29(19-20-30(2)38(3)34-15-9-5-10-16-34)31-21-25-36(26-22-31)39(35-17-11-6-12-18-35)37-27-23-33(24-28-37)32-13-7-4-8-14-32/h4-28H,1-3H3/b29-19+,30-20+
InChIKeyHCVMXQDHAMIJMF-CZYCKNNWSA-N
MW506.69 g/mol
LogP10.27
Rot. Bonds8

About N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline

N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline (PubChem CID 143684827) has the molecular formula C37H34N2 and a molecular weight of 506.69 g/mol. Its IUPAC name is N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline
PubChem CID143684827
Molecular FormulaC37H34N2
Molecular Weight506.69 g/mol
Exact Mass506.27
IUPAC NameN-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline
SMILESC/C(=C\C=C(/C)N(C)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C37H34N2/c1-29(19-20-30(2)38(3)34-15-9-5-10-16-34)31-21-25-36(26-22-31)39(35-17-11-6-12-18-35)37-27-23-33(24-28-37)32-13-7-4-8-14-32/h4-28H,1-3H3/b29-19+,30-20+
InChIKeyHCVMXQDHAMIJMF-CZYCKNNWSA-N
XLogP10.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[4-[4-[1-[4-(N-phenylanilino)phenyl]prop-1-en-2-yl]phenyl]phenyl]aniline
CID 76600728
N-[4-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-methylamino]phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 143685408
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline
CID 129130507
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline (CID 143684827) is N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline is C/C(=C\C=C(/C)N(C)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is HCVMXQDHAMIJMF-CZYCKNNWSA-N. The full InChI is InChI=1S/C37H34N2/c1-29(19-20-30(2)38(3)34-15-9-5-10-16-34)31-21-25-36(26-22-31)39(35-17-11-6-12-18-35)37-27-23-33(24-28-37)32-13-7-4-8-14-32/h4-28H,1-3H3/b29-19+,30-20+.
What are the key properties of N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline?
N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 506.69 g/mol, XLogP of 10.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 143684827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).