[5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol

C26H27BrN2O — CID 10837789

IUPAC[5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(C(c3ccc(Br)[nH]3)c3c(C)cc(C)cc3C)[nH]2)cc1
InChIInChI=1S/C26H27BrN2O/c1-15-5-7-19(8-6-15)26(30)22-10-9-20(28-22)25(21-11-12-23(27)29-21)24-17(3)13-16(2)14-18(24)4/h5-14,25-26,28-30H,1-4H3
InChIKeyFYEGNRMZLBXYTC-UHFFFAOYSA-N
MW463.42 g/mol
LogP6.60
Rot. Bonds5

About [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol

[5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol (PubChem CID 10837789) has the molecular formula C26H27BrN2O and a molecular weight of 463.42 g/mol. Its IUPAC name is [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
PubChem CID10837789
Molecular FormulaC26H27BrN2O
Molecular Weight463.42 g/mol
Exact Mass462.13
IUPAC Name[5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(C(c3ccc(Br)[nH]3)c3c(C)cc(C)cc3C)[nH]2)cc1
InChIInChI=1S/C26H27BrN2O/c1-15-5-7-19(8-6-15)26(30)22-10-9-20(28-22)25(21-11-12-23(27)29-21)24-17(3)13-16(2)14-18(24)4/h5-14,25-26,28-30H,1-4H3
InChIKeyFYEGNRMZLBXYTC-UHFFFAOYSA-N
XLogP6.60
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.42
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
The IUPAC name of [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol (CID 10837789) is [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol.
What is the SMILES notation for [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
The canonical SMILES for [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc(C(c3ccc(Br)[nH]3)c3c(C)cc(C)cc3C)[nH]2)cc1.
What is the InChIKey of [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
The InChIKey is FYEGNRMZLBXYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O/c1-15-5-7-19(8-6-15)26(30)22-10-9-20(28-22)25(21-11-12-23(27)29-21)24-17(3)13-16(2)14-18(24)4/h5-14,25-26,28-30H,1-4H3.
What are the key properties of [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol?
[5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol has a molecular weight of 463.42 g/mol, XLogP of 6.60, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol is sourced from PubChem (CID 10837789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).