3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole

C26H25NO3 — CID 134686900

IUPAC3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole
SMILESCOc1ccc(Cn2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C26H25NO3/c1-28-22-10-4-19(5-11-22)16-27-17-25(20-6-12-23(29-2)13-7-20)26(18-27)21-8-14-24(30-3)15-9-21/h4-15,17-18H,16H2,1-3H3
InChIKeyVIYSPIUUJHAOTC-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.90
Rot. Bonds7

About 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole

3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole (PubChem CID 134686900) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole
PubChem CID134686900
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole
SMILESCOc1ccc(Cn2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C26H25NO3/c1-28-22-10-4-19(5-11-22)16-27-17-25(20-6-12-23(29-2)13-7-20)26(18-27)21-8-14-24(30-3)15-9-21/h4-15,17-18H,16H2,1-3H3
InChIKeyVIYSPIUUJHAOTC-UHFFFAOYSA-N
XLogP5.90
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CID 25034426
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
4-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540055
4-[6-(4-methoxyphenyl)-1H-inden-3-yl]pyridine
CID 25033656

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole (CID 134686900) is 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole is COc1ccc(Cn2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole?
The InChIKey is VIYSPIUUJHAOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-28-22-10-4-19(5-11-22)16-27-17-25(20-6-12-23(29-2)13-7-20)26(18-27)21-8-14-24(30-3)15-9-21/h4-15,17-18H,16H2,1-3H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole?
3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole has a molecular weight of 399.49 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole is sourced from PubChem (CID 134686900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).