1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine

C65H58N8 — CID 145386824

IUPAC1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine
SMILES[H]/N=C1\C=CC=C\C1=N\Nc1ccc(N(c2ccc(-c3ccc(N(c4ccc(N/N=C5/C=CC=C/C5=N\[H])cc4)c4ccc(C)c(-c5ccccc5C)c4)cc3)cc2)c2ccc(C)c(C(/C=C\C)=C(\C)C=C)c2)cc1
InChIInChI=1S/C65H58N8/c1-7-15-58(44(3)8-2)60-42-56(32-22-46(60)5)72(54-38-28-50(29-39-54)68-70-64-20-13-11-18-62(64)66)52-34-24-48(25-35-52)49-26-36-53(37-27-49)73(57-33-23-47(6)61(43-57)59-17-10-9-16-45(59)4)55-40-30-51(31-41-55)69-71-65-21-14-12-19-63(65)67/h7-43,66-69H,2H2,1,3-6H3/b15-7-,58-44+,66-62+,67-63+,70-64-,71-65-
InChIKeyAZUWGUBKFCIJDK-NEYPRIIVSA-N
MW951.24 g/mol
LogP17.25
Rot. Bonds15

About 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine

1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine (PubChem CID 145386824) has the molecular formula C65H58N8 and a molecular weight of 951.24 g/mol. Its IUPAC name is 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine
PubChem CID145386824
Molecular FormulaC65H58N8
Molecular Weight951.24 g/mol
Exact Mass950.48
IUPAC Name1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine
SMILES[H]/N=C1\C=CC=C\C1=N\Nc1ccc(N(c2ccc(-c3ccc(N(c4ccc(N/N=C5/C=CC=C/C5=N\[H])cc4)c4ccc(C)c(-c5ccccc5C)c4)cc3)cc2)c2ccc(C)c(C(/C=C\C)=C(\C)C=C)c2)cc1
InChIInChI=1S/C65H58N8/c1-7-15-58(44(3)8-2)60-42-56(32-22-46(60)5)72(54-38-28-50(29-39-54)68-70-64-20-13-11-18-62(64)66)52-34-24-48(25-35-52)49-26-36-53(37-27-49)73(57-33-23-47(6)61(43-57)59-17-10-9-16-45(59)4)55-40-30-51(31-41-55)69-71-65-21-14-12-19-63(65)67/h7-43,66-69H,2H2,1,3-6H3/b15-7-,58-44+,66-62+,67-63+,70-64-,71-65-
InChIKeyAZUWGUBKFCIJDK-NEYPRIIVSA-N
XLogP17.25
TPSA102.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.24
LogP ≤ 517.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

4-N-[4-[4-[N-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-N-[(3E)-hexa-1,3,5-trien-3-yl]-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]benzene-1,4-diamine
CID 145386812
3-N-(9,9-dimethylfluoren-2-yl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine
CID 155316652
4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline
CID 166778150
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
4-N-[4-[4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-ethyl-5-[(Z)-prop-1-enyl]triazol-2-yl]anilino]phenyl]phenyl]phenyl]-4-N-[(3E)-hexa-1,3,5-trien-3-yl]-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]benzene-1,4-diamine
CID 145386831
1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853
N-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-phenylphenyl)phenyl]-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 134320776
4-N-[4-[4-[4-[(2Z)-2-[2,3-bis(ethenyl)-6-iminocyclohexa-2,4-dien-1-ylidene]hydrazinyl]-N-(5,6-dihydronaphthalen-2-yl)anilino]phenyl]phenyl]-4-N-[(1E,3E,4Z,7Z)-3-ethylidenecycloocta-1,4,7-trien-1-yl]-1-N-[(Z)-(2-iminonaphthalen-1-ylidene)amino]benzene-1,4-diamine
CID 145386864
N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
CID 137232562
4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 146631311
1-(3-ethenylhepta-1,3,5-trien-4-yl)-2-methylbenzene
CID 123213362
[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;2-N,2-N',2-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 142370739

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine (CID 145386824) is 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine is [H]/N=C1\C=CC=C\C1=N\Nc1ccc(N(c2ccc(-c3ccc(N(c4ccc(N/N=C5/C=CC=C/C5=N\[H])cc4)c4ccc(C)c(-c5ccccc5C)c4)cc3)cc2)c2ccc(C)c(C(/C=C\C)=C(\C)C=C)c2)cc1.
What is the InChIKey of 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine?
The InChIKey is AZUWGUBKFCIJDK-NEYPRIIVSA-N. The full InChI is InChI=1S/C65H58N8/c1-7-15-58(44(3)8-2)60-42-56(32-22-46(60)5)72(54-38-28-50(29-39-54)68-70-64-20-13-11-18-62(64)66)52-34-24-48(25-35-52)49-26-36-53(37-27-49)73(57-33-23-47(6)61(43-57)59-17-10-9-16-45(59)4)55-40-30-51(31-41-55)69-71-65-21-14-12-19-63(65)67/h7-43,66-69H,2H2,1,3-6H3/b15-7-,58-44+,66-62+,67-63+,70-64-,71-65-.
What are the key properties of 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine?
1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine has a molecular weight of 951.24 g/mol, XLogP of 17.25, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-4-N-[4-[4-[4-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-N-[4-methyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]anilino]phenyl]phenyl]-4-N-[4-methyl-3-(2-methylphenyl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 145386824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).