7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine]

C36H34Cl2N2 — CID 166561649

IUPAC7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine]
SMILESClc1c(-c2ccc3c(c2)CCC2(CCN2)C3)cccc1-c1cccc(-c2ccc3c(c2)CCC2(CCN2)C3)c1Cl
InChIInChI=1S/C36H34Cl2N2/c37-33-29(25-7-9-27-21-35(15-17-39-35)13-11-23(27)19-25)3-1-5-31(33)32-6-2-4-30(34(32)38)26-8-10-28-22-36(16-18-40-36)14-12-24(28)20-26/h1-10,19-20,39-40H,11-18,21-22H2
InChIKeyKJCBOCSAXNLZIY-UHFFFAOYSA-N
MW565.59 g/mol
LogP8.44
Rot. Bonds3

About 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine]

7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine] (PubChem CID 166561649) has the molecular formula C36H34Cl2N2 and a molecular weight of 565.59 g/mol. Its IUPAC name is 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine].

Molecular Properties

Compound Name7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine]
PubChem CID166561649
Molecular FormulaC36H34Cl2N2
Molecular Weight565.59 g/mol
Exact Mass564.21
IUPAC Name7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine]
SMILESClc1c(-c2ccc3c(c2)CCC2(CCN2)C3)cccc1-c1cccc(-c2ccc3c(c2)CCC2(CCN2)C3)c1Cl
InChIInChI=1S/C36H34Cl2N2/c37-33-29(25-7-9-27-21-35(15-17-39-35)13-11-23(27)19-25)3-1-5-31(33)32-6-2-4-30(34(32)38)26-8-10-28-22-36(16-18-40-36)14-12-24(28)20-26/h1-10,19-20,39-40H,11-18,21-22H2
InChIKeyKJCBOCSAXNLZIY-UHFFFAOYSA-N
XLogP8.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.59
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine]?
The IUPAC name of 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine] (CID 166561649) is 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine].
What is the SMILES notation for 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine]?
The canonical SMILES for 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine] is Clc1c(-c2ccc3c(c2)CCC2(CCN2)C3)cccc1-c1cccc(-c2ccc3c(c2)CCC2(CCN2)C3)c1Cl.
What is the InChIKey of 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine]?
The InChIKey is KJCBOCSAXNLZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34Cl2N2/c37-33-29(25-7-9-27-21-35(15-17-39-35)13-11-23(27)19-25)3-1-5-31(33)32-6-2-4-30(34(32)38)26-8-10-28-22-36(16-18-40-36)14-12-24(28)20-26/h1-10,19-20,39-40H,11-18,21-22H2.
What are the key properties of 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine]?
7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine] has a molecular weight of 565.59 g/mol, XLogP of 8.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-3-(2-chloro-3-spiro[7,8-dihydro-5H-naphthalene-6,2'-azetidine]-2-ylphenyl)phenyl]spiro[2,4-dihydro-1H-naphthalene-3,2'-azetidine] is sourced from PubChem (CID 166561649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).