2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole

C34H26Br2N2O2 — CID 86230996

IUPAC2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole
SMILESCOc1ccc(-n2c(-c3ccc(Br)cc3)ccc2-c2ccc(-c3ccc(Br)cc3)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H26Br2N2O2/c1-39-29-15-11-27(12-16-29)37-31(23-3-7-25(35)8-4-23)19-21-33(37)34-22-20-32(24-5-9-26(36)10-6-24)38(34)28-13-17-30(40-2)18-14-28/h3-22H,1-2H3
InChIKeyBJVHZXQIYGATKL-UHFFFAOYSA-N
MW654.40 g/mol
LogP9.81
Rot. Bonds7

About 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole

2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole (PubChem CID 86230996) has the molecular formula C34H26Br2N2O2 and a molecular weight of 654.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole
PubChem CID86230996
Molecular FormulaC34H26Br2N2O2
Molecular Weight654.40 g/mol
Exact Mass652.04
IUPAC Name2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole
SMILESCOc1ccc(-n2c(-c3ccc(Br)cc3)ccc2-c2ccc(-c3ccc(Br)cc3)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H26Br2N2O2/c1-39-29-15-11-27(12-16-29)37-31(23-3-7-25(35)8-4-23)19-21-33(37)34-22-20-32(24-5-9-26(36)10-6-24)38(34)28-13-17-30(40-2)18-14-28/h3-22H,1-2H3
InChIKeyBJVHZXQIYGATKL-UHFFFAOYSA-N
XLogP9.81
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.40
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
CID 22387522
1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole
CID 22387550
2-(4-bromophenyl)-5-[4-(4-bromophenyl)buta-1,3-diynyl]-1-(4-methoxyphenyl)pyrrole
CID 101384824
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471
2,5-bis(4-bromophenyl)-1-(4-hexoxyphenyl)pyrrole
CID 23497956
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
2-(4-bromophenyl)-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium bromide
CID 21176835
N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 17121989
1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole
CID 22387663
4-(4-bromophenyl)-2-ethyl-5-(4-methoxyphenyl)triazole
CID 71126308
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
(6S)-2-(4-bromophenyl)-1-(4-methoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 51664969

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole?
The IUPAC name of 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole (CID 86230996) is 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole?
The canonical SMILES for 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole is COc1ccc(-n2c(-c3ccc(Br)cc3)ccc2-c2ccc(-c3ccc(Br)cc3)n2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole?
The InChIKey is BJVHZXQIYGATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Br2N2O2/c1-39-29-15-11-27(12-16-29)37-31(23-3-7-25(35)8-4-23)19-21-33(37)34-22-20-32(24-5-9-26(36)10-6-24)38(34)28-13-17-30(40-2)18-14-28/h3-22H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole?
2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole has a molecular weight of 654.40 g/mol, XLogP of 9.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole is sourced from PubChem (CID 86230996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).