3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol

C98H81Br4N5O4 — CID 157182141

IUPAC3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol
SMILESCc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C(=O)O)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C=O)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CN(C)C)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CO)c1
InChIInChI=1S/C26H25BrN2.C24H18BrNO2.C24H20BrNO.C24H18BrNO/c1-19-7-4-5-10-24(19)29-25(21-11-13-23(27)14-12-21)15-16-26(29)22-9-6-8-20(17-22)18-28(2)3;1-16-5-2-3-8-21(16)26-22(17-9-11-20(25)12-10-17)13-14-23(26)18-6-4-7-19(15-18)24(27)28;2*1-17-5-2-3-8-22(17)26-23(19-9-11-21(25)12-10-19)13-14-24(26)20-7-4-6-18(15-20)16-27/h4-17H,18H2,1-3H3;2-15H,1H3,(H,27,28);2-15,27H,16H2,1H3;2-16H,1H3
InChIKeyAOROKXVELLCLNF-UHFFFAOYSA-N
MW1712.37 g/mol
LogP26.59
Rot. Bonds17

About 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol

3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol (PubChem CID 157182141) has the molecular formula C98H81Br4N5O4 and a molecular weight of 1712.37 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol
PubChem CID157182141
Molecular FormulaC98H81Br4N5O4
Molecular Weight1712.37 g/mol
Exact Mass1707.30
IUPAC Name3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol
SMILESCc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C(=O)O)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C=O)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CN(C)C)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CO)c1
InChIInChI=1S/C26H25BrN2.C24H18BrNO2.C24H20BrNO.C24H18BrNO/c1-19-7-4-5-10-24(19)29-25(21-11-13-23(27)14-12-21)15-16-26(29)22-9-6-8-20(17-22)18-28(2)3;1-16-5-2-3-8-21(16)26-22(17-9-11-20(25)12-10-17)13-14-23(26)18-6-4-7-19(15-18)24(27)28;2*1-17-5-2-3-8-22(17)26-23(19-9-11-21(25)12-10-19)13-14-24(26)20-7-4-6-18(15-20)16-27/h4-17H,18H2,1-3H3;2-15H,1H3,(H,27,28);2-15,27H,16H2,1H3;2-16H,1H3
InChIKeyAOROKXVELLCLNF-UHFFFAOYSA-N
XLogP26.59
TPSA97.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001712.37
LogP ≤ 526.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol with MolForge

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Related Compounds

2-bromo-N,N-dimethylethanamine;4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]benzoic acid;[4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol;2-[[4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methoxy]-N,N-dimethylethanamine
CID 165064464
3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
CID 165096016
6-Acetyl-9-propylcarbazole-3-carboxamide;6-acetyl-9-propylcarbazole-3-carboxylic acid;3-bromo-9-propylcarbazole;9-propylcarbazole-3-carboxylic acid
CID 158404469
1-[(2-Bromophenyl)methyl]-2,3-dimethylindole-5-carboxylic acid;1-[1-[(2-bromophenyl)methyl]-2,3-dimethylindol-5-yl]ethanone;ethanol
CID 159722442
CID 160609539
CID 160609539
2-bromo-N,N-dimethylethanamine;4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;[4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol;2-[[4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methoxy]-N,N-dimethylethanamine
CID 161024378

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
The IUPAC name of 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol (CID 157182141) is 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol.
What is the SMILES notation for 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
The canonical SMILES for 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol is Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C(=O)O)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C=O)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CN(C)C)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CO)c1.
What is the InChIKey of 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
The InChIKey is AOROKXVELLCLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN2.C24H18BrNO2.C24H20BrNO.C24H18BrNO/c1-19-7-4-5-10-24(19)29-25(21-11-13-23(27)14-12-21)15-16-26(29)22-9-6-8-20(17-22)18-28(2)3;1-16-5-2-3-8-21(16)26-22(17-9-11-20(25)12-10-17)13-14-23(26)18-6-4-7-19(15-18)24(27)28;2*1-17-5-2-3-8-22(17)26-23(19-9-11-21(25)12-10-19)13-14-24(26)20-7-4-6-18(15-20)16-27/h4-17H,18H2,1-3H3;2-15H,1H3,(H,27,28);2-15,27H,16H2,1H3;2-16H,1H3.
What are the key properties of 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol has a molecular weight of 1712.37 g/mol, XLogP of 26.59, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzaldehyde;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine;[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol is sourced from PubChem (CID 157182141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).