2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol

C34H20I4N2O2 — CID 136912130

IUPAC2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
SMILESOc1c(I)cc(I)cc1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2cc(I)cc(I)c2O)ccc2ccccc12
InChIInChI=1S/C34H20I4N2O2/c35-23-13-21(33(41)27(37)15-23)17-39-29-11-9-19-5-1-3-7-25(19)31(29)32-26-8-4-2-6-20(26)10-12-30(32)40-18-22-14-24(36)16-28(38)34(22)42/h1-18,41-42H/b39-17+,40-18+
InChIKeyQVJCMYFTKGKHSN-KHYZFUKWSA-N
MW996.16 g/mol
LogP10.99
Rot. Bonds5

About 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol

2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol (PubChem CID 136912130) has the molecular formula C34H20I4N2O2 and a molecular weight of 996.16 g/mol. Its IUPAC name is 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
PubChem CID136912130
Molecular FormulaC34H20I4N2O2
Molecular Weight996.16 g/mol
Exact Mass995.77
IUPAC Name2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
SMILESOc1c(I)cc(I)cc1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2cc(I)cc(I)c2O)ccc2ccccc12
InChIInChI=1S/C34H20I4N2O2/c35-23-13-21(33(41)27(37)15-23)17-39-29-11-9-19-5-1-3-7-25(19)31(29)32-26-8-4-2-6-20(26)10-12-30(32)40-18-22-14-24(36)16-28(38)34(22)42/h1-18,41-42H/b39-17+,40-18+
InChIKeyQVJCMYFTKGKHSN-KHYZFUKWSA-N
XLogP10.99
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.16
LogP ≤ 510.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[[1-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-tert-butylphenol
CID 136702081
2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
CID 136845962
2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol
CID 3915695
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol
CID 136697424
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 136596197
2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper
CID 135442203
2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol
CID 3640337

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol?
The IUPAC name of 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol (CID 136912130) is 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol?
The canonical SMILES for 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol is Oc1c(I)cc(I)cc1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2cc(I)cc(I)c2O)ccc2ccccc12.
What is the InChIKey of 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol?
The InChIKey is QVJCMYFTKGKHSN-KHYZFUKWSA-N. The full InChI is InChI=1S/C34H20I4N2O2/c35-23-13-21(33(41)27(37)15-23)17-39-29-11-9-19-5-1-3-7-25(19)31(29)32-26-8-4-2-6-20(26)10-12-30(32)40-18-22-14-24(36)16-28(38)34(22)42/h1-18,41-42H/b39-17+,40-18+.
What are the key properties of 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol?
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol has a molecular weight of 996.16 g/mol, XLogP of 10.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol is sourced from PubChem (CID 136912130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).