5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine

C38H24N6 — CID 90361753

IUPAC5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine
SMILESc1ccc(-c2cnc(-c3c4ccccc4c(-c4ncc(-c5ccccc5)cn4)c4cc(-c5ncccn5)ccc34)nc2)cc1
InChIInChI=1S/C38H24N6/c1-3-10-25(11-4-1)28-21-41-37(42-22-28)34-30-14-7-8-15-31(30)35(38-43-23-29(24-44-38)26-12-5-2-6-13-26)33-20-27(16-17-32(33)34)36-39-18-9-19-40-36/h1-24H
InChIKeyXUWOTALFRQNRRM-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.70
Rot. Bonds5

About 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine

5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine (PubChem CID 90361753) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine.

Molecular Properties

Compound Name5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine
PubChem CID90361753
Molecular FormulaC38H24N6
Molecular Weight564.65 g/mol
Exact Mass564.21
IUPAC Name5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine
SMILESc1ccc(-c2cnc(-c3c4ccccc4c(-c4ncc(-c5ccccc5)cn4)c4cc(-c5ncccn5)ccc34)nc2)cc1
InChIInChI=1S/C38H24N6/c1-3-10-25(11-4-1)28-21-41-37(42-22-28)34-30-14-7-8-15-31(30)35(38-43-23-29(24-44-38)26-12-5-2-6-13-26)33-20-27(16-17-32(33)34)36-39-18-9-19-40-36/h1-24H
InChIKeyXUWOTALFRQNRRM-UHFFFAOYSA-N
XLogP8.70
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
CID 90361810
2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 158485358
2-[2-phenyl-10-(4-pyren-1-ylnaphthalen-1-yl)anthracen-9-yl]pyrimidine
CID 88869011
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-[9,10-dinaphthalen-2-yl-7-(5-phenylpyrimidin-2-yl)anthracen-2-yl]-6-methylpyrimidine
CID 126514191
2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
CID 59195756
2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-4-[9,10-bis(4-phenylphenyl)-7-pyrimidin-2-ylanthracen-2-yl]pyrimidine
CID 126513994
2-[3-(10-bromoanthracen-9-yl)-5-phenylphenyl]pyrimidine
CID 174496201
2-benzo[a]anthracen-4-yl-4-phenyl-6-(3-phenyl-10-pyrimidin-2-ylanthracen-9-yl)-1,3,5-triazine
CID 88869032
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 162774199

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine?
The IUPAC name of 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine (CID 90361753) is 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine.
What is the SMILES notation for 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine?
The canonical SMILES for 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine is c1ccc(-c2cnc(-c3c4ccccc4c(-c4ncc(-c5ccccc5)cn4)c4cc(-c5ncccn5)ccc34)nc2)cc1.
What is the InChIKey of 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine?
The InChIKey is XUWOTALFRQNRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-3-10-25(11-4-1)28-21-41-37(42-22-28)34-30-14-7-8-15-31(30)35(38-43-23-29(24-44-38)26-12-5-2-6-13-26)33-20-27(16-17-32(33)34)36-39-18-9-19-40-36/h1-24H.
What are the key properties of 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine?
5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine has a molecular weight of 564.65 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine is sourced from PubChem (CID 90361753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).