N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline

C26H25N — CID 156827248

IUPACN-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline
SMILESC=C(C)/C=C\C(=C/C)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H25N/c1-4-21(11-10-20(2)3)23-12-16-25(17-13-23)27-26-18-14-24(15-19-26)22-8-6-5-7-9-22/h4-19,27H,2H2,1,3H3/b11-10-,21-4+
InChIKeyNONPZUDASKQWBE-WNPUVNSFSA-N
MW351.49 g/mol
LogP7.63
Rot. Bonds6

About N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline

N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline (PubChem CID 156827248) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline
PubChem CID156827248
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC NameN-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline
SMILESC=C(C)/C=C\C(=C/C)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H25N/c1-4-21(11-10-20(2)3)23-12-16-25(17-13-23)27-26-18-14-24(15-19-26)22-8-6-5-7-9-22/h4-19,27H,2H2,1,3H3/b11-10-,21-4+
InChIKeyNONPZUDASKQWBE-WNPUVNSFSA-N
XLogP7.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
CID 145067455
N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline
CID 123475710
N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 88567954
N-[4-(4-hexa-1,3,5-trien-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 123956268
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene
CID 143740427
4-[4-[(3E,5Z)-5,6-diphenylhepta-1,3,5-trien-3-yl]phenyl]-N-phenylaniline
CID 170214589
N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
CID 144591931
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
CID 135243485
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
ethane;(3Z,5E)-5-phenylhepta-1,3,5-triene-2-thiol
CID 143899348
3-(3-methylbuta-1,3-dienyl)-N-phenylaniline
CID 91209631

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline (CID 156827248) is N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline is C=C(C)/C=C\C(=C/C)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline?
The InChIKey is NONPZUDASKQWBE-WNPUVNSFSA-N. The full InChI is InChI=1S/C26H25N/c1-4-21(11-10-20(2)3)23-12-16-25(17-13-23)27-26-18-14-24(15-19-26)22-8-6-5-7-9-22/h4-19,27H,2H2,1,3H3/b11-10-,21-4+.
What are the key properties of N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline?
N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline has a molecular weight of 351.49 g/mol, XLogP of 7.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline is sourced from PubChem (CID 156827248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).