2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine

C46H30N4 — CID 162774199

IUPAC2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ncc(-c5cccnc5)c(-c5ccc(-c6cccnc6)cc5)n4)ccc23)cc1
InChIInChI=1S/C46H30N4/c1-3-11-32(12-4-1)43-38-17-7-8-18-39(38)44(33-13-5-2-6-14-33)41-27-35(23-24-40(41)43)46-49-30-42(37-16-10-26-48-29-37)45(50-46)34-21-19-31(20-22-34)36-15-9-25-47-28-36/h1-30H
InChIKeyRFGFJEINZRPERI-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.57
Rot. Bonds6

About 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine

2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 162774199) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID162774199
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ncc(-c5cccnc5)c(-c5ccc(-c6cccnc6)cc5)n4)ccc23)cc1
InChIInChI=1S/C46H30N4/c1-3-11-32(12-4-1)43-38-17-7-8-18-39(38)44(33-13-5-2-6-14-33)41-27-35(23-24-40(41)43)46-49-30-42(37-16-10-26-48-29-37)45(50-46)34-21-19-31(20-22-34)36-15-9-25-47-28-36/h1-30H
InChIKeyRFGFJEINZRPERI-UHFFFAOYSA-N
XLogP11.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477455
2,4-bis(4-phenylphenyl)-6-(10-phenyl-9-pyridin-3-ylphenanthren-2-yl)-1,3,5-triazine
CID 162392900
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
CID 90361810
2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 129084345
2-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130268379
4-(4-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine
CID 129303120
2-naphthalen-1-yl-4-(4-phenylphenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine;2-(2,3,4,5,6-pentadeuteriophenyl)-4-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine;2-phenanthren-9-yl-4-(4-phenylphenyl)-5-(3-pyridin-3-ylphenyl)pyrimidine
CID 158275338
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine
CID 155089035
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
4-[10-(4-phenylphenyl)anthracen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 138553326
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine (CID 162774199) is 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ncc(-c5cccnc5)c(-c5ccc(-c6cccnc6)cc5)n4)ccc23)cc1.
What is the InChIKey of 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is RFGFJEINZRPERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-3-11-32(12-4-1)43-38-17-7-8-18-39(38)44(33-13-5-2-6-14-33)41-27-35(23-24-40(41)43)46-49-30-42(37-16-10-26-48-29-37)45(50-46)34-21-19-31(20-22-34)36-15-9-25-47-28-36/h1-30H.
What are the key properties of 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine?
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 638.77 g/mol, XLogP of 11.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-yl-4-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 162774199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).