2-anthracen-2-yl-4,6-diiodopyrimidine

C18H10I2N2 — CID 154599086

IUPAC2-anthracen-2-yl-4,6-diiodopyrimidine
SMILESIc1cc(I)nc(-c2ccc3cc4ccccc4cc3c2)n1
InChIInChI=1S/C18H10I2N2/c19-16-10-17(20)22-18(21-16)14-6-5-13-7-11-3-1-2-4-12(11)8-15(13)9-14/h1-10H
InChIKeyKDOKKWRDXGUCBE-UHFFFAOYSA-N
MW508.10 g/mol
LogP5.66
Rot. Bonds1

About 2-anthracen-2-yl-4,6-diiodopyrimidine

2-anthracen-2-yl-4,6-diiodopyrimidine (PubChem CID 154599086) has the molecular formula C18H10I2N2 and a molecular weight of 508.10 g/mol. Its IUPAC name is 2-anthracen-2-yl-4,6-diiodopyrimidine.

Molecular Properties

Compound Name2-anthracen-2-yl-4,6-diiodopyrimidine
PubChem CID154599086
Molecular FormulaC18H10I2N2
Molecular Weight508.10 g/mol
Exact Mass507.89
IUPAC Name2-anthracen-2-yl-4,6-diiodopyrimidine
SMILESIc1cc(I)nc(-c2ccc3cc4ccccc4cc3c2)n1
InChIInChI=1S/C18H10I2N2/c19-16-10-17(20)22-18(21-16)14-6-5-13-7-11-3-1-2-4-12(11)8-15(13)9-14/h1-10H
InChIKeyKDOKKWRDXGUCBE-UHFFFAOYSA-N
XLogP5.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.10
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830
4,6-dibromo-2-naphthalen-2-ylpyrimidine
CID 71324653
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 118490750
6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
6-(2-anthracen-2-yl-6-isoquinolin-6-ylpyrimidin-4-yl)isoquinoline
CID 154599114
4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 141478206
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
2-anthracen-2-yl-4-phenanthren-2-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598343

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-2-yl-4,6-diiodopyrimidine?
The IUPAC name of 2-anthracen-2-yl-4,6-diiodopyrimidine (CID 154599086) is 2-anthracen-2-yl-4,6-diiodopyrimidine.
What is the SMILES notation for 2-anthracen-2-yl-4,6-diiodopyrimidine?
The canonical SMILES for 2-anthracen-2-yl-4,6-diiodopyrimidine is Ic1cc(I)nc(-c2ccc3cc4ccccc4cc3c2)n1.
What is the InChIKey of 2-anthracen-2-yl-4,6-diiodopyrimidine?
The InChIKey is KDOKKWRDXGUCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10I2N2/c19-16-10-17(20)22-18(21-16)14-6-5-13-7-11-3-1-2-4-12(11)8-15(13)9-14/h1-10H.
What are the key properties of 2-anthracen-2-yl-4,6-diiodopyrimidine?
2-anthracen-2-yl-4,6-diiodopyrimidine has a molecular weight of 508.10 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-2-yl-4,6-diiodopyrimidine is sourced from PubChem (CID 154599086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).