4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine

C66H78N4 — CID 134559305

IUPAC4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine
SMILESC=C(/C=C\C(=C/C)N(/C(C)=C/C=C(\C)N(/C(C=C(C)C)=C/C)c1cccc(C)c1)c1ccccc1)C(=C)/C=C\C(=C/C)N(/C(C)=C/C=C\C)c1ccc(N(/C(C)=C/C(C)=C\C)c2cccc(C)c2)cc1
InChIInChI=1S/C66H78N4/c1-17-22-30-55(13)67(63-41-43-64(44-42-63)70(58(16)46-50(8)18-2)66-34-27-29-52(10)48-66)59(19-3)39-35-53(11)54(12)36-40-60(20-4)68(62-31-24-23-25-32-62)56(14)37-38-57(15)69(61(21-5)45-49(6)7)65-33-26-28-51(9)47-65/h17-48H,11-12H2,1-10,13-16H3/b22-17-,39-35-,40-36-,50-18-,55-30+,56-37+,57-38+,58-46+,59-19+,60-20+,61-21+
InChIKeyPKUQUUMOLUIIJN-PWESERAESA-N
MW927.38 g/mol
LogP19.32
Rot. Bonds21

About 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine

4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine (PubChem CID 134559305) has the molecular formula C66H78N4 and a molecular weight of 927.38 g/mol. Its IUPAC name is 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine
PubChem CID134559305
Molecular FormulaC66H78N4
Molecular Weight927.38 g/mol
Exact Mass926.62
IUPAC Name4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine
SMILESC=C(/C=C\C(=C/C)N(/C(C)=C/C=C(\C)N(/C(C=C(C)C)=C/C)c1cccc(C)c1)c1ccccc1)C(=C)/C=C\C(=C/C)N(/C(C)=C/C=C\C)c1ccc(N(/C(C)=C/C(C)=C\C)c2cccc(C)c2)cc1
InChIInChI=1S/C66H78N4/c1-17-22-30-55(13)67(63-41-43-64(44-42-63)70(58(16)46-50(8)18-2)66-34-27-29-52(10)48-66)59(19-3)39-35-53(11)54(12)36-40-60(20-4)68(62-31-24-23-25-32-62)56(14)37-38-57(15)69(61(21-5)45-49(6)7)65-33-26-28-51(9)47-65/h17-48H,11-12H2,1-10,13-16H3/b22-17-,39-35-,40-36-,50-18-,55-30+,56-37+,57-38+,58-46+,59-19+,60-20+,61-21+
InChIKeyPKUQUUMOLUIIJN-PWESERAESA-N
XLogP19.32
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.38
LogP ≤ 519.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine (CID 134559305) is 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine is C=C(/C=C\C(=C/C)N(/C(C)=C/C=C(\C)N(/C(C=C(C)C)=C/C)c1cccc(C)c1)c1ccccc1)C(=C)/C=C\C(=C/C)N(/C(C)=C/C=C\C)c1ccc(N(/C(C)=C/C(C)=C\C)c2cccc(C)c2)cc1.
What is the InChIKey of 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine?
The InChIKey is PKUQUUMOLUIIJN-PWESERAESA-N. The full InChI is InChI=1S/C66H78N4/c1-17-22-30-55(13)67(63-41-43-64(44-42-63)70(58(16)46-50(8)18-2)66-34-27-29-52(10)48-66)59(19-3)39-35-53(11)54(12)36-40-60(20-4)68(62-31-24-23-25-32-62)56(14)37-38-57(15)69(61(21-5)45-49(6)7)65-33-26-28-51(9)47-65/h17-48H,11-12H2,1-10,13-16H3/b22-17-,39-35-,40-36-,50-18-,55-30+,56-37+,57-38+,58-46+,59-19+,60-20+,61-21+.
What are the key properties of 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine?
4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine has a molecular weight of 927.38 g/mol, XLogP of 19.32, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2E,4Z,8Z,10E)-6,7-dimethylidene-10-(N-[(2E,4E)-5-(3-methyl-N-[(2E)-5-methylhexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]anilino)dodeca-2,4,8,10-tetraen-3-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-N-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-1-N-(3-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 134559305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).