N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline

C28H33N — CID 89264612

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline
SMILESC=C/C=C\C=C(/C)N(/C(C)=C/C(C)CC=C)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H33N/c1-7-9-10-12-24(5)29(25(6)21-23(4)11-8-2)28-19-17-27(18-20-28)26-15-13-22(3)14-16-26/h7-10,12-21,23H,1-2,11H2,3-6H3/b10-9-,24-12+,25-21+
InChIKeyRJWGJGPTFCIDTQ-VUEGLYDTSA-N
MW383.58 g/mol
LogP8.23
Rot. Bonds9

About N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline

N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline (PubChem CID 89264612) has the molecular formula C28H33N and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline
PubChem CID89264612
Molecular FormulaC28H33N
Molecular Weight383.58 g/mol
Exact Mass383.26
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline
SMILESC=C/C=C\C=C(/C)N(/C(C)=C/C(C)CC=C)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H33N/c1-7-9-10-12-24(5)29(25(6)21-23(4)11-8-2)28-19-17-27(18-20-28)26-15-13-22(3)14-16-26/h7-10,12-21,23H,1-2,11H2,3-6H3/b10-9-,24-12+,25-21+
InChIKeyRJWGJGPTFCIDTQ-VUEGLYDTSA-N
XLogP8.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline (CID 89264612) is N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline is C=C/C=C\C=C(/C)N(/C(C)=C/C(C)CC=C)c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline?
The InChIKey is RJWGJGPTFCIDTQ-VUEGLYDTSA-N. The full InChI is InChI=1S/C28H33N/c1-7-9-10-12-24(5)29(25(6)21-23(4)11-8-2)28-19-17-27(18-20-28)26-15-13-22(3)14-16-26/h7-10,12-21,23H,1-2,11H2,3-6H3/b10-9-,24-12+,25-21+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline?
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline has a molecular weight of 383.58 g/mol, XLogP of 8.23, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline is sourced from PubChem (CID 89264612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).