2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole

C34H38N2O — CID 11237190

IUPAC2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole
SMILESCC(C)(C)c1ccc(C(c2ccc[nH]2)c2ccc(C(c3ccc(C(C)(C)C)cc3)c3ccc[nH]3)o2)cc1
InChIInChI=1S/C34H38N2O/c1-33(2,3)25-15-11-23(12-16-25)31(27-9-7-21-35-27)29-19-20-30(37-29)32(28-10-8-22-36-28)24-13-17-26(18-14-24)34(4,5)6/h7-22,31-32,35-36H,1-6H3
InChIKeyOLSQUMCHECRXAP-UHFFFAOYSA-N
MW490.69 g/mol
LogP8.89
Rot. Bonds6

About 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole

2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole (PubChem CID 11237190) has the molecular formula C34H38N2O and a molecular weight of 490.69 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole
PubChem CID11237190
Molecular FormulaC34H38N2O
Molecular Weight490.69 g/mol
Exact Mass490.30
IUPAC Name2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole
SMILESCC(C)(C)c1ccc(C(c2ccc[nH]2)c2ccc(C(c3ccc(C(C)(C)C)cc3)c3ccc[nH]3)o2)cc1
InChIInChI=1S/C34H38N2O/c1-33(2,3)25-15-11-23(12-16-25)31(27-9-7-21-35-27)29-19-20-30(37-29)32(28-10-8-22-36-28)24-13-17-26(18-14-24)34(4,5)6/h7-22,31-32,35-36H,1-6H3
InChIKeyOLSQUMCHECRXAP-UHFFFAOYSA-N
XLogP8.89
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole
CID 102500839
2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82293454
[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 10624502
2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
CID 101493519
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
2-[1H-pyrrol-2-yl-[4-[tris[4-[[ethoxy(methyl)phosphoryl]methyl]phenyl]methyl]phenyl]methyl]-1H-pyrrole
CID 89297003
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 102416621
3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine
CID 130882676
2-[[4-(diethoxyphosphorylmethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 58763687
2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371938
3-[(4-tert-butylphenyl)-phenylmethyl]thiophene
CID 132547015

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole?
The IUPAC name of 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole (CID 11237190) is 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole?
The canonical SMILES for 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole is CC(C)(C)c1ccc(C(c2ccc[nH]2)c2ccc(C(c3ccc(C(C)(C)C)cc3)c3ccc[nH]3)o2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole?
The InChIKey is OLSQUMCHECRXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O/c1-33(2,3)25-15-11-23(12-16-25)31(27-9-7-21-35-27)29-19-20-30(37-29)32(28-10-8-22-36-28)24-13-17-26(18-14-24)34(4,5)6/h7-22,31-32,35-36H,1-6H3.
What are the key properties of 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole?
2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole has a molecular weight of 490.69 g/mol, XLogP of 8.89, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole is sourced from PubChem (CID 11237190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).