4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine

C26H17IN2 — CID 135215553

IUPAC4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine
SMILESIc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C26H17IN2/c27-21-13-6-12-20(16-21)25-17-24(19-9-2-1-3-10-19)28-26(29-25)23-15-7-11-18-8-4-5-14-22(18)23/h1-17H
InChIKeyQBTCAMYNFCMFPW-UHFFFAOYSA-N
MW484.34 g/mol
LogP7.24
Rot. Bonds3

About 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine

4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine (PubChem CID 135215553) has the molecular formula C26H17IN2 and a molecular weight of 484.34 g/mol. Its IUPAC name is 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine
PubChem CID135215553
Molecular FormulaC26H17IN2
Molecular Weight484.34 g/mol
Exact Mass484.04
IUPAC Name4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine
SMILESIc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C26H17IN2/c27-21-13-6-12-20(16-21)25-17-24(19-9-2-1-3-10-19)28-26(29-25)23-15-7-11-18-8-4-5-14-22(18)23/h1-17H
InChIKeyQBTCAMYNFCMFPW-UHFFFAOYSA-N
XLogP7.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.34
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine
CID 123694324
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163499320
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 145299161
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine
CID 158962834
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-ylpyrimidine
CID 155089111
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 130465782

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine?
The IUPAC name of 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine (CID 135215553) is 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine.
What is the SMILES notation for 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine?
The canonical SMILES for 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine is Ic1cccc(-c2cc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine?
The InChIKey is QBTCAMYNFCMFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17IN2/c27-21-13-6-12-20(16-21)25-17-24(19-9-2-1-3-10-19)28-26(29-25)23-15-7-11-18-8-4-5-14-22(18)23/h1-17H.
What are the key properties of 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine?
4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine has a molecular weight of 484.34 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine is sourced from PubChem (CID 135215553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).