(2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole

C36H42N4 — CID 10530269

IUPAC(2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole
SMILESCC1=C(C)/C(=C/c2[nH]c(Cc3ccc(C)cc3)c(C)c2C)N=C1CC1=N/C(=C/c2[nH]c(C)c(C)c2C)C(C)=C1C
InChIInChI=1S/C36H42N4/c1-19-11-13-29(14-12-19)15-30-22(4)23(5)33(38-30)17-34-26(8)27(9)36(40-34)18-35-25(7)24(6)32(39-35)16-31-21(3)20(2)28(10)37-31/h11-14,16-17,37-38H,15,18H2,1-10H3/b32-16+,34-17-
InChIKeySSTKRRLKMOITHG-PAOJCILUSA-N
MW530.76 g/mol
LogP9.14
Rot. Bonds6

About (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole

(2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole (PubChem CID 10530269) has the molecular formula C36H42N4 and a molecular weight of 530.76 g/mol. Its IUPAC name is (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole.

Molecular Properties

Compound Name(2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole
PubChem CID10530269
Molecular FormulaC36H42N4
Molecular Weight530.76 g/mol
Exact Mass530.34
IUPAC Name(2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole
SMILESCC1=C(C)/C(=C/c2[nH]c(Cc3ccc(C)cc3)c(C)c2C)N=C1CC1=N/C(=C/c2[nH]c(C)c(C)c2C)C(C)=C1C
InChIInChI=1S/C36H42N4/c1-19-11-13-29(14-12-19)15-30-22(4)23(5)33(38-30)17-34-26(8)27(9)36(40-34)18-35-25(7)24(6)32(39-35)16-31-21(3)20(2)28(10)37-31/h11-14,16-17,37-38H,15,18H2,1-10H3/b32-16+,34-17-
InChIKeySSTKRRLKMOITHG-PAOJCILUSA-N
XLogP9.14
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.76
LogP ≤ 59.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole with MolForge

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Related Compounds

(5Z)-2,3,4-trimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 15857952
2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide
CID 131665765
2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide
CID 132760546
methyl 3-[(2Z)-5-[[(5E)-3-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-2-yl]methyl]-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 46222496
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62331145
3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 91341403
2-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 22380532
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
carbon dioxide;4-[(4-methylphenyl)methyl]-2H-triazole
CID 176531031
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole?
The IUPAC name of (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole (CID 10530269) is (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole.
What is the SMILES notation for (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole?
The canonical SMILES for (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole is CC1=C(C)/C(=C/c2[nH]c(Cc3ccc(C)cc3)c(C)c2C)N=C1CC1=N/C(=C/c2[nH]c(C)c(C)c2C)C(C)=C1C.
What is the InChIKey of (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole?
The InChIKey is SSTKRRLKMOITHG-PAOJCILUSA-N. The full InChI is InChI=1S/C36H42N4/c1-19-11-13-29(14-12-19)15-30-22(4)23(5)33(38-30)17-34-26(8)27(9)36(40-34)18-35-25(7)24(6)32(39-35)16-31-21(3)20(2)28(10)37-31/h11-14,16-17,37-38H,15,18H2,1-10H3/b32-16+,34-17-.
What are the key properties of (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole?
(2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole has a molecular weight of 530.76 g/mol, XLogP of 9.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole is sourced from PubChem (CID 10530269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).