1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine

C34H14F10N2 — CID 11285131

IUPAC1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3c(F)c(F)c(F)c(F)c3F)ccc3ccccc23)c(F)c1F
InChIInChI=1S/C34H14F10N2/c35-25-19(26(36)30(40)33(43)29(25)39)13-45-21-11-9-15-5-1-3-7-17(15)23(21)24-18-8-4-2-6-16(18)10-12-22(24)46-14-20-27(37)31(41)34(44)32(42)28(20)38/h1-14H/b45-13+,46-14+
InChIKeyOZPDXSPDFHREPM-JAMPESMLSA-N
MW640.48 g/mol
LogP10.55
Rot. Bonds5

About 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine

1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine (PubChem CID 11285131) has the molecular formula C34H14F10N2 and a molecular weight of 640.48 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
PubChem CID11285131
Molecular FormulaC34H14F10N2
Molecular Weight640.48 g/mol
Exact Mass640.10
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3c(F)c(F)c(F)c(F)c3F)ccc3ccccc23)c(F)c1F
InChIInChI=1S/C34H14F10N2/c35-25-19(26(36)30(40)33(43)29(25)39)13-45-21-11-9-15-5-1-3-7-17(15)23(21)24-18-8-4-2-6-16(18)10-12-22(24)46-14-20-27(37)31(41)34(44)32(42)28(20)38/h1-14H/b45-13+,46-14+
InChIKeyOZPDXSPDFHREPM-JAMPESMLSA-N
XLogP10.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.48
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11114666
1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol
CID 136697424
1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11519235
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322
1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 101264651
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
N-(2,4-difluorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 23278103
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845
1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
CID 155033275

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The IUPAC name of 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) is 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is Fc1c(F)c(F)c(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3c(F)c(F)c(F)c(F)c3F)ccc3ccccc23)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The InChIKey is OZPDXSPDFHREPM-JAMPESMLSA-N. The full InChI is InChI=1S/C34H14F10N2/c35-25-19(26(36)30(40)33(43)29(25)39)13-45-21-11-9-15-5-1-3-7-17(15)23(21)24-18-8-4-2-6-16(18)10-12-22(24)46-14-20-27(37)31(41)34(44)32(42)28(20)38/h1-14H/b45-13+,46-14+.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine has a molecular weight of 640.48 g/mol, XLogP of 10.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is sourced from PubChem (CID 11285131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).