2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole

C30H28N2O2 — CID 122363305

IUPAC2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole
SMILESCOc1ccc(-c2[nH]ccc2Cc2ccc(Cc3cc[nH]c3-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C30H28N2O2/c1-33-27-11-7-23(8-12-27)29-25(15-17-31-29)19-21-3-5-22(6-4-21)20-26-16-18-32-30(26)24-9-13-28(34-2)14-10-24/h3-18,31-32H,19-20H2,1-2H3
InChIKeyDKIPGKMSDQYOBH-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.88
Rot. Bonds8

About 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole

2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole (PubChem CID 122363305) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole
PubChem CID122363305
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole
SMILESCOc1ccc(-c2[nH]ccc2Cc2ccc(Cc3cc[nH]c3-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C30H28N2O2/c1-33-27-11-7-23(8-12-27)29-25(15-17-31-29)19-21-3-5-22(6-4-21)20-26-16-18-32-30(26)24-9-13-28(34-2)14-10-24/h3-18,31-32H,19-20H2,1-2H3
InChIKeyDKIPGKMSDQYOBH-UHFFFAOYSA-N
XLogP6.88
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
CID 142774486
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole
CID 10954950
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
2-[(4-methoxyphenyl)methyl]-1H-pyrrole-3-carboxylic acid
CID 96599946
1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene
CID 69239963
[2-[(4-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335204
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole?
The IUPAC name of 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole (CID 122363305) is 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole is COc1ccc(-c2[nH]ccc2Cc2ccc(Cc3cc[nH]c3-c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole?
The InChIKey is DKIPGKMSDQYOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-33-27-11-7-23(8-12-27)29-25(15-17-31-29)19-21-3-5-22(6-4-21)20-26-16-18-32-30(26)24-9-13-28(34-2)14-10-24/h3-18,31-32H,19-20H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole?
2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole has a molecular weight of 448.57 g/mol, XLogP of 6.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole is sourced from PubChem (CID 122363305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).