4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole

C27H33NO2 — CID 134977819

IUPAC4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole
SMILESCCCC1=NC(C)(C)C(C)(C)C1=C=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C27H33NO2/c1-8-9-25-24(26(2,3)27(4,5)28-25)18-23(19-10-14-21(29-6)15-11-19)20-12-16-22(30-7)17-13-20/h10-17H,8-9H2,1-7H3
InChIKeyVERBCBGRBJCMSR-UHFFFAOYSA-N
MW403.57 g/mol
LogP6.72
Rot. Bonds6

About 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole

4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole (PubChem CID 134977819) has the molecular formula C27H33NO2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole.

Molecular Properties

Compound Name4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole
PubChem CID134977819
Molecular FormulaC27H33NO2
Molecular Weight403.57 g/mol
Exact Mass403.25
IUPAC Name4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole
SMILESCCCC1=NC(C)(C)C(C)(C)C1=C=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C27H33NO2/c1-8-9-25-24(26(2,3)27(4,5)28-25)18-23(19-10-14-21(29-6)15-11-19)20-12-16-22(30-7)17-13-20/h10-17H,8-9H2,1-7H3
InChIKeyVERBCBGRBJCMSR-UHFFFAOYSA-N
XLogP6.72
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole?
The IUPAC name of 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole (CID 134977819) is 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole.
What is the SMILES notation for 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole?
The canonical SMILES for 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole is CCCC1=NC(C)(C)C(C)(C)C1=C=C(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole?
The InChIKey is VERBCBGRBJCMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO2/c1-8-9-25-24(26(2,3)27(4,5)28-25)18-23(19-10-14-21(29-6)15-11-19)20-12-16-22(30-7)17-13-20/h10-17H,8-9H2,1-7H3.
What are the key properties of 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole?
4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole has a molecular weight of 403.57 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole is sourced from PubChem (CID 134977819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).