(2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide

C31H34N2 — CID 126518692

IUPAC(2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide
SMILESC=C/C=C\C=C(C)\C(N)=N\c1cccc(-c2ccccc2)c1C(=C)CCC(=C)/C=C\C=C/C
InChIInChI=1S/C31H34N2/c1-6-8-11-16-24(3)22-23-25(4)30-28(27-18-13-10-14-19-27)20-15-21-29(30)33-31(32)26(5)17-12-9-7-2/h6-21H,2-4,22-23H2,1,5H3,(H2,32,33)/b8-6-,12-9-,16-11-,26-17+
InChIKeyJXMDKPMCKZKYAS-HDQNOJLQSA-N
MW434.63 g/mol
LogP8.51
Rot. Bonds11

About (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide

(2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide (PubChem CID 126518692) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide.

Molecular Properties

Compound Name(2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide
PubChem CID126518692
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC Name(2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide
SMILESC=C/C=C\C=C(C)\C(N)=N\c1cccc(-c2ccccc2)c1C(=C)CCC(=C)/C=C\C=C/C
InChIInChI=1S/C31H34N2/c1-6-8-11-16-24(3)22-23-25(4)30-28(27-18-13-10-14-19-27)20-15-21-29(30)33-31(32)26(5)17-12-9-7-2/h6-21H,2-4,22-23H2,1,5H3,(H2,32,33)/b8-6-,12-9-,16-11-,26-17+
InChIKeyJXMDKPMCKZKYAS-HDQNOJLQSA-N
XLogP8.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide?
The IUPAC name of (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide (CID 126518692) is (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide.
What is the SMILES notation for (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide?
The canonical SMILES for (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide is C=C/C=C\C=C(C)\C(N)=N\c1cccc(-c2ccccc2)c1C(=C)CCC(=C)/C=C\C=C/C.
What is the InChIKey of (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide?
The InChIKey is JXMDKPMCKZKYAS-HDQNOJLQSA-N. The full InChI is InChI=1S/C31H34N2/c1-6-8-11-16-24(3)22-23-25(4)30-28(27-18-13-10-14-19-27)20-15-21-29(30)33-31(32)26(5)17-12-9-7-2/h6-21H,2-4,22-23H2,1,5H3,(H2,32,33)/b8-6-,12-9-,16-11-,26-17+.
What are the key properties of (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide?
(2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide has a molecular weight of 434.63 g/mol, XLogP of 8.51, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methyl-N'-[2-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]-3-phenylphenyl]hepta-2,4,6-trienimidamide is sourced from PubChem (CID 126518692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).