1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine

C34H34N4 — CID 2321774

IUPAC1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
SMILESCc1ccc(-n2c(C)cc(/C=N/c3ccc(/N=C/c4cc(C)n(-c5ccc(C)cc5)c4C)cc3)c2C)cc1
InChIInChI=1S/C34H34N4/c1-23-7-15-33(16-8-23)37-25(3)19-29(27(37)5)21-35-31-11-13-32(14-12-31)36-22-30-20-26(4)38(28(30)6)34-17-9-24(2)10-18-34/h7-22H,1-6H3/b35-21+,36-22+
InChIKeyIMORYUXJWMWKFY-JTOYJDTJSA-N
MW498.67 g/mol
LogP8.62
Rot. Bonds6

About 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine

1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine (PubChem CID 2321774) has the molecular formula C34H34N4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine.

Molecular Properties

Compound Name1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
PubChem CID2321774
Molecular FormulaC34H34N4
Molecular Weight498.67 g/mol
Exact Mass498.28
IUPAC Name1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
SMILESCc1ccc(-n2c(C)cc(/C=N/c3ccc(/N=C/c4cc(C)n(-c5ccc(C)cc5)c4C)cc3)c2C)cc1
InChIInChI=1S/C34H34N4/c1-23-7-15-33(16-8-23)37-25(3)19-29(27(37)5)21-35-31-11-13-32(14-12-31)36-22-30-20-26(4)38(28(30)6)34-17-9-24(2)10-18-34/h7-22H,1-6H3/b35-21+,36-22+
InChIKeyIMORYUXJWMWKFY-JTOYJDTJSA-N
XLogP8.62
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol
CID 1275213
1-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]ethanone
CID 780818
N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine
CID 3123643
1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine
CID 94845458
4-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid
CID 94845447
2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine
CID 145362966
1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-nitrophenyl)methanimine
CID 126192901
3-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoate
CID 6979232
1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
CID 23931095
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
CID 793172
[4-[3-[[4-(diethylamino)phenyl]iminomethyl]-2,5-dimethylpyrrol-1-yl]phenyl] acetate
CID 1109626
1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(6-methoxy-3-pyridinyl)methanimine
CID 126193368

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine?
The IUPAC name of 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine (CID 2321774) is 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine.
What is the SMILES notation for 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine?
The canonical SMILES for 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine is Cc1ccc(-n2c(C)cc(/C=N/c3ccc(/N=C/c4cc(C)n(-c5ccc(C)cc5)c4C)cc3)c2C)cc1.
What is the InChIKey of 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine?
The InChIKey is IMORYUXJWMWKFY-JTOYJDTJSA-N. The full InChI is InChI=1S/C34H34N4/c1-23-7-15-33(16-8-23)37-25(3)19-29(27(37)5)21-35-31-11-13-32(14-12-31)36-22-30-20-26(4)38(28(30)6)34-17-9-24(2)10-18-34/h7-22H,1-6H3/b35-21+,36-22+.
What are the key properties of 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine?
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine has a molecular weight of 498.67 g/mol, XLogP of 8.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine is sourced from PubChem (CID 2321774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).