3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine

C33H30N4 — CID 70291320

IUPAC3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cccc(C=NN(c3ccccc3)c3ccccc3)c2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C33H30N4/c1-25-16-20-28(21-17-25)35-32-15-9-10-27(33(32)36-29-22-18-26(2)19-23-29)24-34-37(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-24,35-36H,1-2H3
InChIKeyPBGMVYHCHMJYQE-UHFFFAOYSA-N
MW482.63 g/mol
LogP8.96
Rot. Bonds8

About 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine

3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine (PubChem CID 70291320) has the molecular formula C33H30N4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine
PubChem CID70291320
Molecular FormulaC33H30N4
Molecular Weight482.63 g/mol
Exact Mass482.25
IUPAC Name3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cccc(C=NN(c3ccccc3)c3ccccc3)c2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C33H30N4/c1-25-16-20-28(21-17-25)35-32-15-9-10-27(33(32)36-29-22-18-26(2)19-23-29)24-34-37(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-24,35-36H,1-2H3
InChIKeyPBGMVYHCHMJYQE-UHFFFAOYSA-N
XLogP8.96
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 58.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline
CID 102395036
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 67688103
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
N-[(Z)-(2-fluorophenyl)methylideneamino]-N-phenylaniline
CID 7921961
N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
2-(4-methylanilino)cyclohepta-2,4,6-trien-1-one
CID 658410
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
4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N,N-diphenylaniline
CID 15044303
N-[(E)-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]methylideneamino]-4-methyl-N-(4-methylphenyl)aniline
CID 172928570
3-[4-[4-[2,3-bis(4-methylanilino)phenoxy]phenyl]phenoxy]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine
CID 18996828

Frequently Asked Questions

What is the IUPAC name of 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine (CID 70291320) is 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine is Cc1ccc(Nc2cccc(C=NN(c3ccccc3)c3ccccc3)c2Nc2ccc(C)cc2)cc1.
What is the InChIKey of 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine?
The InChIKey is PBGMVYHCHMJYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4/c1-25-16-20-28(21-17-25)35-32-15-9-10-27(33(32)36-29-22-18-26(2)19-23-29)24-34-37(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-24,35-36H,1-2H3.
What are the key properties of 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine?
3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine has a molecular weight of 482.63 g/mol, XLogP of 8.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 70291320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).