4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline

C66H56N6 — CID 172986340

IUPAC4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(/C=N/N(c5ccccc5)c5ccccc5)c(C)c4)cc3)cc2)c2ccc(/C=N/N(c3ccccc3)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C66H56N6/c1-49-25-35-57(36-26-49)69(65-43-33-55(51(3)45-65)47-67-71(61-17-9-5-10-18-61)62-19-11-6-12-20-62)59-39-29-53(30-40-59)54-31-41-60(42-32-54)70(58-37-27-50(2)28-38-58)66-44-34-56(52(4)46-66)48-68-72(63-21-13-7-14-22-63)64-23-15-8-16-24-64/h5-48H,1-4H3/b67-47+,68-48+
InChIKeyVZGMQOCXHAUREO-UWWOXZCUSA-N
MW933.22 g/mol
LogP17.87
Rot. Bonds15

About 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline

4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline (PubChem CID 172986340) has the molecular formula C66H56N6 and a molecular weight of 933.22 g/mol. Its IUPAC name is 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
PubChem CID172986340
Molecular FormulaC66H56N6
Molecular Weight933.22 g/mol
Exact Mass932.46
IUPAC Name4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(/C=N/N(c5ccccc5)c5ccccc5)c(C)c4)cc3)cc2)c2ccc(/C=N/N(c3ccccc3)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C66H56N6/c1-49-25-35-57(36-26-49)69(65-43-33-55(51(3)45-65)47-67-71(61-17-9-5-10-18-61)62-19-11-6-12-20-62)59-39-29-53(30-40-59)54-31-41-60(42-32-54)70(58-37-27-50(2)28-38-58)66-44-34-56(52(4)46-66)48-68-72(63-21-13-7-14-22-63)64-23-15-8-16-24-64/h5-48H,1-4H3/b67-47+,68-48+
InChIKeyVZGMQOCXHAUREO-UWWOXZCUSA-N
XLogP17.87
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.22
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N,N-diphenylaniline
CID 15044303
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
CID 22899848
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
4-(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065532
4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065635
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline (CID 172986340) is 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(/C=N/N(c5ccccc5)c5ccccc5)c(C)c4)cc3)cc2)c2ccc(/C=N/N(c3ccccc3)c3ccccc3)c(C)c2)cc1.
What is the InChIKey of 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline?
The InChIKey is VZGMQOCXHAUREO-UWWOXZCUSA-N. The full InChI is InChI=1S/C66H56N6/c1-49-25-35-57(36-26-49)69(65-43-33-55(51(3)45-65)47-67-71(61-17-9-5-10-18-61)62-19-11-6-12-20-62)59-39-29-53(30-40-59)54-31-41-60(42-32-54)70(58-37-27-50(2)28-38-58)66-44-34-56(52(4)46-66)48-68-72(63-21-13-7-14-22-63)64-23-15-8-16-24-64/h5-48H,1-4H3/b67-47+,68-48+.
What are the key properties of 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline?
4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline has a molecular weight of 933.22 g/mol, XLogP of 17.87, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 172986340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).