1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine

C34H27Cl2NO2 — CID 123527892

IUPAC1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine
SMILESClc1ccc(N2CCCC2)c(-c2cc(Oc3ccccc3)c(-c3cccc(Oc4ccccc4)c3)cc2Cl)c1
InChIInChI=1S/C34H27Cl2NO2/c35-25-16-17-33(37-18-7-8-19-37)31(21-25)30-23-34(39-27-13-5-2-6-14-27)29(22-32(30)36)24-10-9-15-28(20-24)38-26-11-3-1-4-12-26/h1-6,9-17,20-23H,7-8,18-19H2
InChIKeyINHDLBIIMYDYTD-UHFFFAOYSA-N
MW552.50 g/mol
LogP10.51
Rot. Bonds7

About 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine

1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine (PubChem CID 123527892) has the molecular formula C34H27Cl2NO2 and a molecular weight of 552.50 g/mol. Its IUPAC name is 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine
PubChem CID123527892
Molecular FormulaC34H27Cl2NO2
Molecular Weight552.50 g/mol
Exact Mass551.14
IUPAC Name1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine
SMILESClc1ccc(N2CCCC2)c(-c2cc(Oc3ccccc3)c(-c3cccc(Oc4ccccc4)c3)cc2Cl)c1
InChIInChI=1S/C34H27Cl2NO2/c35-25-16-17-33(37-18-7-8-19-37)31(21-25)30-23-34(39-27-13-5-2-6-14-27)29(22-32(30)36)24-10-9-15-28(20-24)38-26-11-3-1-4-12-26/h1-6,9-17,20-23H,7-8,18-19H2
InChIKeyINHDLBIIMYDYTD-UHFFFAOYSA-N
XLogP10.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.50
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine?
The IUPAC name of 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine (CID 123527892) is 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine?
The canonical SMILES for 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine is Clc1ccc(N2CCCC2)c(-c2cc(Oc3ccccc3)c(-c3cccc(Oc4ccccc4)c3)cc2Cl)c1.
What is the InChIKey of 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine?
The InChIKey is INHDLBIIMYDYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27Cl2NO2/c35-25-16-17-33(37-18-7-8-19-37)31(21-25)30-23-34(39-27-13-5-2-6-14-27)29(22-32(30)36)24-10-9-15-28(20-24)38-26-11-3-1-4-12-26/h1-6,9-17,20-23H,7-8,18-19H2.
What are the key properties of 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine?
1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine has a molecular weight of 552.50 g/mol, XLogP of 10.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[2-chloro-5-phenoxy-4-(3-phenoxyphenyl)phenyl]phenyl]pyrrolidine is sourced from PubChem (CID 123527892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).