1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine

C34H18F10N2 — CID 134974744

IUPAC1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccc3c(c2-c2c(/N=C/c4c(F)c(F)c(F)c(F)c4F)ccc4ccccc24)CCCC3)c(F)c1F
InChIInChI=1S/C34H18F10N2/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/h1,3,5,7,9-14H,2,4,6,8H2/b45-13+,46-14+
InChIKeyRUZMBDYNVBNWGF-JAMPESMLSA-N
MW644.51 g/mol
LogP10.28
Rot. Bonds5

About 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine

1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine (PubChem CID 134974744) has the molecular formula C34H18F10N2 and a molecular weight of 644.51 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]-5,6,7,8-tetrahydronaphthalen-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]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine
PubChem CID134974744
Molecular FormulaC34H18F10N2
Molecular Weight644.51 g/mol
Exact Mass644.13
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccc3c(c2-c2c(/N=C/c4c(F)c(F)c(F)c(F)c4F)ccc4ccccc24)CCCC3)c(F)c1F
InChIInChI=1S/C34H18F10N2/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/h1,3,5,7,9-14H,2,4,6,8H2/b45-13+,46-14+
InChIKeyRUZMBDYNVBNWGF-JAMPESMLSA-N
XLogP10.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.51
LogP ≤ 510.28
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

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1,5-Bis(4-fluorobenzylideneamino)naphthalene
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CID 4093510

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]-5,6,7,8-tetrahydronaphthalen-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]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine (CID 134974744) is 1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-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]-5,6,7,8-tetrahydronaphthalen-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]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine is Fc1c(F)c(F)c(/C=N/c2ccc3c(c2-c2c(/N=C/c4c(F)c(F)c(F)c(F)c4F)ccc4ccccc24)CCCC3)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]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine?
The InChIKey is RUZMBDYNVBNWGF-JAMPESMLSA-N. The full InChI is InChI=1S/C34H18F10N2/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/h1,3,5,7,9-14H,2,4,6,8H2/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]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine?
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine has a molecular weight of 644.51 g/mol, XLogP of 10.28, 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]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine is sourced from PubChem (CID 134974744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).