2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine

C29H18Cl8N2 — CID 59227527

IUPAC2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1c(Cl)cc(-c2c(Cl)cccc2Cl)cc1Cl)=N\c1c(Cl)cc(-c2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C29H18Cl8N2/c1-14(38-28-22(34)10-16(11-23(28)35)26-18(30)5-3-6-19(26)31)9-15(2)39-29-24(36)12-17(13-25(29)37)27-20(32)7-4-8-21(27)33/h3-8,10-13H,9H2,1-2H3/b38-14+,39-15+
InChIKeyUDBJZRDAPUJCDX-QGZAGHSOSA-N
MW678.10 g/mol
LogP13.52
Rot. Bonds6

About 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine

2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine (PubChem CID 59227527) has the molecular formula C29H18Cl8N2 and a molecular weight of 678.10 g/mol. Its IUPAC name is 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine.

Molecular Properties

Compound Name2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine
PubChem CID59227527
Molecular FormulaC29H18Cl8N2
Molecular Weight678.10 g/mol
Exact Mass673.90
IUPAC Name2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1c(Cl)cc(-c2c(Cl)cccc2Cl)cc1Cl)=N\c1c(Cl)cc(-c2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C29H18Cl8N2/c1-14(38-28-22(34)10-16(11-23(28)35)26-18(30)5-3-6-19(26)31)9-15(2)39-29-24(36)12-17(13-25(29)37)27-20(32)7-4-8-21(27)33/h3-8,10-13H,9H2,1-2H3/b38-14+,39-15+
InChIKeyUDBJZRDAPUJCDX-QGZAGHSOSA-N
XLogP13.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.10
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine?
The IUPAC name of 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine (CID 59227527) is 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine.
What is the SMILES notation for 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine?
The canonical SMILES for 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine is C/C(C/C(C)=N/c1c(Cl)cc(-c2c(Cl)cccc2Cl)cc1Cl)=N\c1c(Cl)cc(-c2c(Cl)cccc2Cl)cc1Cl.
What is the InChIKey of 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine?
The InChIKey is UDBJZRDAPUJCDX-QGZAGHSOSA-N. The full InChI is InChI=1S/C29H18Cl8N2/c1-14(38-28-22(34)10-16(11-23(28)35)26-18(30)5-3-6-19(26)31)9-15(2)39-29-24(36)12-17(13-25(29)37)27-20(32)7-4-8-21(27)33/h3-8,10-13H,9H2,1-2H3/b38-14+,39-15+.
What are the key properties of 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine?
2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine has a molecular weight of 678.10 g/mol, XLogP of 13.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine is sourced from PubChem (CID 59227527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).