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

C64H54N8 — CID 145386864

IUPAC4-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
SMILES[H]/N=C1\C=CC(C=C)=C(C=C)\C1=N\Nc1ccc(N(c2ccc(-c3ccc(N(C4=C/C(=C/C)/C=C\C/C=C\4)c4ccc(N/N=C5C(=N\[H])\C=Cc6ccccc6\5)cc4)cc3)cc2)c2ccc3c(c2)C=CCC3)cc1
InChIInChI=1S/C64H54N8/c1-4-44-14-8-7-9-18-57(42-44)71(55-36-27-52(28-37-55)68-70-64-60-19-13-12-16-49(60)26-41-62(64)66)53-31-20-47(21-32-53)48-22-33-54(34-23-48)72(58-35-24-46-15-10-11-17-50(46)43-58)56-38-29-51(30-39-56)67-69-63-59(6-3)45(5-2)25-40-61(63)65/h4-6,8-9,11-14,16-43,65-68H,2-3,7,10,15H2,1H3/b14-8-,18-9-,44-4+,57-42+,65-61+,66-62+,69-63-,70-64-
InChIKeyYZEHXNLCLQDKOF-GKEZLDJCSA-N
MW935.19 g/mol
LogP16.16
Rot. Bonds13

About 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

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 (PubChem CID 145386864) has the molecular formula C64H54N8 and a molecular weight of 935.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID145386864
Molecular FormulaC64H54N8
Molecular Weight935.19 g/mol
Exact Mass934.45
IUPAC Name4-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
SMILES[H]/N=C1\C=CC(C=C)=C(C=C)\C1=N\Nc1ccc(N(c2ccc(-c3ccc(N(C4=C/C(=C/C)/C=C\C/C=C\4)c4ccc(N/N=C5C(=N\[H])\C=Cc6ccccc6\5)cc4)cc3)cc2)c2ccc3c(c2)C=CCC3)cc1
InChIInChI=1S/C64H54N8/c1-4-44-14-8-7-9-18-57(42-44)71(55-36-27-52(28-37-55)68-70-64-60-19-13-12-16-49(60)26-41-62(64)66)53-31-20-47(21-32-53)48-22-33-54(34-23-48)72(58-35-24-46-15-10-11-17-50(46)43-58)56-38-29-51(30-39-56)67-69-63-59(6-3)45(5-2)25-40-61(63)65/h4-6,8-9,11-14,16-43,65-68H,2-3,7,10,15H2,1H3/b14-8-,18-9-,44-4+,57-42+,65-61+,66-62+,69-63-,70-64-
InChIKeyYZEHXNLCLQDKOF-GKEZLDJCSA-N
XLogP16.16
TPSA102.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.19
LogP ≤ 516.16
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 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 with MolForge

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Related Compounds

4-N-[4-[4-(N-(4-benzo[e]benzotriazol-2-ylphenyl)anilino)phenyl]phenyl]-1-N-[(Z)-(2-iminonaphthalen-1-ylidene)amino]-4-N-phenylbenzene-1,4-diamine
CID 146631116
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
N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline
CID 134194347
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(5,6-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 167036999
2-N-cyclohexa-1,5-dien-1-yl-9-(5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-yl-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 88562951
N-[4-[4-[4-[5,6-dihydronaphthalen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 131995520
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
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
N-(4-tert-butylphenyl)-6-[8-(5,6-dihydronaphthalen-2-yl)benzo[c]phenanthren-5-yl]-N-phenylnaphthalen-2-amine
CID 89086114
2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 167235326
N-(3-dibenzofuran-2-ylphenyl)-N-(5,6-dihydronaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 118487128
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]/N=C1\C=CC(C=C)=C(C=C)\C1=N\Nc1ccc(N(c2ccc(-c3ccc(N(C4=C/C(=C/C)/C=C\C/C=C\4)c4ccc(N/N=C5C(=N\[H])\C=Cc6ccccc6\5)cc4)cc3)cc2)c2ccc3c(c2)C=CCC3)cc1.
What is the InChIKey of 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?
The InChIKey is YZEHXNLCLQDKOF-GKEZLDJCSA-N. The full InChI is InChI=1S/C64H54N8/c1-4-44-14-8-7-9-18-57(42-44)71(55-36-27-52(28-37-55)68-70-64-60-19-13-12-16-49(60)26-41-62(64)66)53-31-20-47(21-32-53)48-22-33-54(34-23-48)72(58-35-24-46-15-10-11-17-50(46)43-58)56-38-29-51(30-39-56)67-69-63-59(6-3)45(5-2)25-40-61(63)65/h4-6,8-9,11-14,16-43,65-68H,2-3,7,10,15H2,1H3/b14-8-,18-9-,44-4+,57-42+,65-61+,66-62+,69-63-,70-64-.
What are the key properties of 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?
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 has a molecular weight of 935.19 g/mol, XLogP of 16.16, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145386864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).