2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C35H38N2O2 — CID 11016756

IUPAC2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCCC[C@@H](Oc1cccc(O[C@H](CCC)c2ccccc2)c1C(c1ccc[nH]1)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C35H38N2O2/c1-3-14-30(26-16-7-5-8-17-26)38-32-22-11-23-33(39-31(15-4-2)27-18-9-6-10-19-27)35(32)34(28-20-12-24-36-28)29-21-13-25-37-29/h5-13,16-25,30-31,34,36-37H,3-4,14-15H2,1-2H3/t30-,31-/m1/s1
InChIKeyZAXNFUYIPUDHSE-FIRIVFDPSA-N
MW518.70 g/mol
LogP9.36
Rot. Bonds13

About 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 11016756) has the molecular formula C35H38N2O2 and a molecular weight of 518.70 g/mol. Its IUPAC name is 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID11016756
Molecular FormulaC35H38N2O2
Molecular Weight518.70 g/mol
Exact Mass518.29
IUPAC Name2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCCC[C@@H](Oc1cccc(O[C@H](CCC)c2ccccc2)c1C(c1ccc[nH]1)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C35H38N2O2/c1-3-14-30(26-16-7-5-8-17-26)38-32-22-11-23-33(39-31(15-4-2)27-18-9-6-10-19-27)35(32)34(28-20-12-24-36-28)29-21-13-25-37-29/h5-13,16-25,30-31,34,36-37H,3-4,14-15H2,1-2H3/t30-,31-/m1/s1
InChIKeyZAXNFUYIPUDHSE-FIRIVFDPSA-N
XLogP9.36
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-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

N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methylchroman-3-amine
CID 11233991
N-[3-(5-Fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propylchroman-3-amine
CID 11246478
N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amine
CID 11350339
8-Fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propylchroman-3-amine
CID 11373342
N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxychroman-3-amine
CID 11463955
N-ethyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxychroman-3-amine
CID 11485868
[3-(5-Fluoro-1H-indol-3-yl)-propyl]-(5-methoxy-chroman-3-yl)-amine
CID 11845453
(3R)-(-)-N-Cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxychroman-3-amine
CID 11845636
(3R)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propylchroman-3-amine
CID 25138742
(3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propylchroman-3-amine
CID 25138902
N-(3,5-dimethoxybenzyl)(1H-indol-3-yl)methanamine
CID 792077
4-[5-(4-Chloro-phenyl)-3-(2,6-dipropoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44373191

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 11016756) is 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is CCC[C@@H](Oc1cccc(O[C@H](CCC)c2ccccc2)c1C(c1ccc[nH]1)c1ccc[nH]1)c1ccccc1.
What is the InChIKey of 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is ZAXNFUYIPUDHSE-FIRIVFDPSA-N. The full InChI is InChI=1S/C35H38N2O2/c1-3-14-30(26-16-7-5-8-17-26)38-32-22-11-23-33(39-31(15-4-2)27-18-9-6-10-19-27)35(32)34(28-20-12-24-36-28)29-21-13-25-37-29/h5-13,16-25,30-31,34,36-37H,3-4,14-15H2,1-2H3/t30-,31-/m1/s1.
What are the key properties of 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 518.70 g/mol, XLogP of 9.36, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis[(1R)-1-phenylbutoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 11016756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).