2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol

C35H22I2O — CID 159717238

IUPAC2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol
SMILESOc1c(I)cc(I)cc1C(c1cccc2cc3ccccc3cc12)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C35H22I2O/c36-27-19-32(35(38)33(37)20-27)34(28-13-5-11-25-15-21-7-1-3-9-23(21)17-30(25)28)29-14-6-12-26-16-22-8-2-4-10-24(22)18-31(26)29/h1-20,34,38H
InChIKeyZJYHUVWLMOIMHZ-UHFFFAOYSA-N
MW712.37 g/mol
LogP10.39
Rot. Bonds3

About 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol

2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol (PubChem CID 159717238) has the molecular formula C35H22I2O and a molecular weight of 712.37 g/mol. Its IUPAC name is 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol
PubChem CID159717238
Molecular FormulaC35H22I2O
Molecular Weight712.37 g/mol
Exact Mass711.98
IUPAC Name2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol
SMILESOc1c(I)cc(I)cc1C(c1cccc2cc3ccccc3cc12)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C35H22I2O/c36-27-19-32(35(38)33(37)20-27)34(28-13-5-11-25-15-21-7-1-3-9-23(21)17-30(25)28)29-14-6-12-26-16-22-8-2-4-10-24(22)18-31(26)29/h1-20,34,38H
InChIKeyZJYHUVWLMOIMHZ-UHFFFAOYSA-N
XLogP10.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.37
LogP ≤ 510.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
CID 171920783
heptacen-1-ol
CID 150633624
1-penta-1,4-dien-3-ylanthracene
CID 21275728
2-anthracen-1-ylpropanoic acid
CID 57031488
1-[(2,3-dihydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]naphthalene-2,3-diol
CID 161485171
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
2-anthracen-1-ylpropanal
CID 123532907
1-(difluoromethyl)-3-iodonaphthalene
CID 118847241
1,6-diiodoanthracene
CID 130319188
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol
CID 171271661
[anthracen-1-yl(carboxy)methyl]-methyliodanium
CID 18671184
copper 2,4,6-triiodophenol
CID 54602337

Frequently Asked Questions

What is the IUPAC name of 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol?
The IUPAC name of 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol (CID 159717238) is 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol?
The canonical SMILES for 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol is Oc1c(I)cc(I)cc1C(c1cccc2cc3ccccc3cc12)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol?
The InChIKey is ZJYHUVWLMOIMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22I2O/c36-27-19-32(35(38)33(37)20-27)34(28-13-5-11-25-15-21-7-1-3-9-23(21)17-30(25)28)29-14-6-12-26-16-22-8-2-4-10-24(22)18-31(26)29/h1-20,34,38H.
What are the key properties of 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol?
2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol has a molecular weight of 712.37 g/mol, XLogP of 10.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol is sourced from PubChem (CID 159717238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).