(1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine

C40H41N — CID 130238863

IUPAC(1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine
SMILESC=C(/C=C(/c1ccc(-c2ccccc2)cc1)N(C)C(C)c1ccc(-c2ccc(C)cc2)cc1)C(/C=C/C)=C/C=C\C
InChIInChI=1S/C40H41N/c1-7-9-14-33(13-8-2)31(4)29-40(39-27-25-37(26-28-39)35-15-11-10-12-16-35)41(6)32(5)34-21-23-38(24-22-34)36-19-17-30(3)18-20-36/h7-29,32H,4H2,1-3,5-6H3/b9-7-,13-8+,33-14+,40-29-
InChIKeyDEPJVFAKZBQGMB-BYRCRDOISA-N
MW535.78 g/mol
LogP11.00
Rot. Bonds10

About (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine

(1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine (PubChem CID 130238863) has the molecular formula C40H41N and a molecular weight of 535.78 g/mol. Its IUPAC name is (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine.

Molecular Properties

Compound Name(1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine
PubChem CID130238863
Molecular FormulaC40H41N
Molecular Weight535.78 g/mol
Exact Mass535.32
IUPAC Name(1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine
SMILESC=C(/C=C(/c1ccc(-c2ccccc2)cc1)N(C)C(C)c1ccc(-c2ccc(C)cc2)cc1)C(/C=C/C)=C/C=C\C
InChIInChI=1S/C40H41N/c1-7-9-14-33(13-8-2)31(4)29-40(39-27-25-37(26-28-39)35-15-11-10-12-16-35)41(6)32(5)34-21-23-38(24-22-34)36-19-17-30(3)18-20-36/h7-29,32H,4H2,1-3,5-6H3/b9-7-,13-8+,33-14+,40-29-
InChIKeyDEPJVFAKZBQGMB-BYRCRDOISA-N
XLogP11.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.78
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine?
The IUPAC name of (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine (CID 130238863) is (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine.
What is the SMILES notation for (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine?
The canonical SMILES for (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine is C=C(/C=C(/c1ccc(-c2ccccc2)cc1)N(C)C(C)c1ccc(-c2ccc(C)cc2)cc1)C(/C=C/C)=C/C=C\C.
What is the InChIKey of (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine?
The InChIKey is DEPJVFAKZBQGMB-BYRCRDOISA-N. The full InChI is InChI=1S/C40H41N/c1-7-9-14-33(13-8-2)31(4)29-40(39-27-25-37(26-28-39)35-15-11-10-12-16-35)41(6)32(5)34-21-23-38(24-22-34)36-19-17-30(3)18-20-36/h7-29,32H,4H2,1-3,5-6H3/b9-7-,13-8+,33-14+,40-29-.
What are the key properties of (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine?
(1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine has a molecular weight of 535.78 g/mol, XLogP of 11.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E,6Z)-N-methyl-3-methylidene-N-[1-[4-(4-methylphenyl)phenyl]ethyl]-1-(4-phenylphenyl)-4-[(E)-prop-1-enyl]octa-1,4,6-trien-1-amine is sourced from PubChem (CID 130238863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).