4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine

C46H30N2 — CID 145299161

IUPAC4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H30N2/c1-3-16-32(17-4-1)42-30-43(48-46(47-42)33-18-5-2-6-19-33)34-21-13-22-35(29-34)44-38-24-9-11-26-40(38)45(41-27-12-10-25-39(41)44)37-28-14-20-31-15-7-8-23-36(31)37/h1-30H
InChIKeyVDDYOSABORMGQF-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.27
Rot. Bonds5

About 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine

4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 145299161) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID145299161
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H30N2/c1-3-16-32(17-4-1)42-30-43(48-46(47-42)33-18-5-2-6-19-33)34-21-13-22-35(29-34)44-38-24-9-11-26-40(38)45(41-27-12-10-25-39(41)44)37-28-14-20-31-15-7-8-23-36(31)37/h1-30H
InChIKeyVDDYOSABORMGQF-UHFFFAOYSA-N
XLogP12.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine
CID 59722112
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine
CID 130231665
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidine;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 159564441
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine
CID 170025705
4-[3-[10-(11,11-dimethylbenzo[b]fluoren-4-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyrimidine
CID 176794242
2-[10-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 135245605
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701

Frequently Asked Questions

What is the IUPAC name of 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine (CID 145299161) is 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is VDDYOSABORMGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-16-32(17-4-1)42-30-43(48-46(47-42)33-18-5-2-6-19-33)34-21-13-22-35(29-34)44-38-24-9-11-26-40(38)45(41-27-12-10-25-39(41)44)37-28-14-20-31-15-7-8-23-36(31)37/h1-30H.
What are the key properties of 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine?
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 610.76 g/mol, XLogP of 12.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 145299161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).