1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine

C34H20Cl4N2 — CID 11114666

IUPAC1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
SMILESClc1cccc(Cl)c1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2c(Cl)cccc2Cl)ccc2ccccc12
InChIInChI=1S/C34H20Cl4N2/c35-27-11-5-12-28(36)25(27)19-39-31-17-15-21-7-1-3-9-23(21)33(31)34-24-10-4-2-8-22(24)16-18-32(34)40-20-26-29(37)13-6-14-30(26)38/h1-20H/b39-19+,40-20+
InChIKeySVICUPRTJDQSTP-DVIGQUAASA-N
MW598.36 g/mol
LogP11.77
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine

1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine (PubChem CID 11114666) has the molecular formula C34H20Cl4N2 and a molecular weight of 598.36 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
PubChem CID11114666
Molecular FormulaC34H20Cl4N2
Molecular Weight598.36 g/mol
Exact Mass596.04
IUPAC Name1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
SMILESClc1cccc(Cl)c1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2c(Cl)cccc2Cl)ccc2ccccc12
InChIInChI=1S/C34H20Cl4N2/c35-27-11-5-12-28(36)25(27)19-39-31-17-15-21-7-1-3-9-23(21)33(31)34-24-10-4-2-8-22(24)16-18-32(34)40-20-26-29(37)13-6-14-30(26)38/h1-20H/b39-19+,40-20+
InChIKeySVICUPRTJDQSTP-DVIGQUAASA-N
XLogP11.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.36
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11285131
1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 86208216
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
2-[(2,6-dichlorophenyl)methylideneamino]phenol
CID 677290
1-(2,6-dichlorophenyl)-N-(2,4,5-trichlorophenyl)methanimine
CID 5174119
1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11519235
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953569

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine (CID 11114666) is 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is Clc1cccc(Cl)c1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2c(Cl)cccc2Cl)ccc2ccccc12.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The InChIKey is SVICUPRTJDQSTP-DVIGQUAASA-N. The full InChI is InChI=1S/C34H20Cl4N2/c35-27-11-5-12-28(36)25(27)19-39-31-17-15-21-7-1-3-9-23(21)33(31)34-24-10-4-2-8-22(24)16-18-32(34)40-20-26-29(37)13-6-14-30(26)38/h1-20H/b39-19+,40-20+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine has a molecular weight of 598.36 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is sourced from PubChem (CID 11114666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).