4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine

C184H116N8O4 — CID 159168891

About 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine

4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine (PubChem CID 159168891) has the molecular formula C184H116N8O4 and a molecular weight of 2503.00 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
• PubChem CID: 159168891
• Molecular Formula: C184H116N8O4
• Molecular Weight: 2503.00 g/mol
• Exact Mass: 2500.91
• IUPAC Name: 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
• InChI: InChI=1S/C52H32N2O.C48H30N2O.C44H28N2O.C40H26N2O/c1-2-15-33(16-3-1)35-18-6-11-24-42(35)48-32-49(46-27-14-26-44-43-25-12-13-28-50(43)55-51(44)46)54-52(53-48)45-30-29-41(38-21-8-9-22-39(38)45)47-31-34-17-4-5-19-36(34)37-20-7-10-23-40(37)47;1-2-13-31(14-3-1)35-16-6-9-20-39(35)44-30-45(42-23-12-22-41-40-21-10-11-24-46(40)51-47(41)42)50-48(49-44)33-27-25-32(26-28-33)43-29-34-15-4-5-17-36(34)37-18-7-8-19-38(37)43;1-3-14-29(15-4-1)31-18-7-10-21-35(31)40-28-41(39-24-13-23-37-36-22-11-12-25-42(36)47-43(37)39)46-44(45-40)38-27-26-32(30-16-5-2-6-17-30)33-19-8-9-20-34(33)38;1-3-12-27(13-4-1)28-22-24-30(25-23-28)40-41-36(32-17-8-7-16-31(32)29-14-5-2-6-15-29)26-37(42-40)35-20-11-19-34-33-18-9-10-21-38(33)43-39(34)35/h1-32H;1-30H;1-28H;1-26H
• InChIKey: KLKWALALJXABSQ-UHFFFAOYSA-N
• XLogP: 49.76
• TPSA: 155.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2503.00
LogP ≤ 5	49.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine?

The IUPAC name of 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine (CID 159168891) is 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine.

What is the SMILES notation for 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine?

The canonical SMILES for 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.

What is the InChIKey of 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine?

The InChIKey is KLKWALALJXABSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O.C48H30N2O.C44H28N2O.C40H26N2O/c1-2-15-33(16-3-1)35-18-6-11-24-42(35)48-32-49(46-27-14-26-44-43-25-12-13-28-50(43)55-51(44)46)54-52(53-48)45-30-29-41(38-21-8-9-22-39(38)45)47-31-34-17-4-5-19-36(34)37-20-7-10-23-40(37)47;1-2-13-31(14-3-1)35-16-6-9-20-39(35)44-30-45(42-23-12-22-41-40-21-10-11-24-46(40)51-47(41)42)50-48(49-44)33-27-25-32(26-28-33)43-29-34-15-4-5-17-36(34)37-18-7-8-19-38(37)43;1-3-14-29(15-4-1)31-18-7-10-21-35(31)40-28-41(39-24-13-23-37-36-22-11-12-25-42(36)47-43(37)39)46-44(45-40)38-27-26-32(30-16-5-2-6-17-30)33-19-8-9-20-34(33)38;1-3-12-27(13-4-1)28-22-24-30(25-23-28)40-41-36(32-17-8-7-16-31(32)29-14-5-2-6-15-29)26-37(42-40)35-20-11-19-34-33-18-9-10-21-38(33)43-39(34)35/h1-32H;1-30H;1-28H;1-26H.

What are the key properties of 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine?

4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine has a molecular weight of 2503.00 g/mol, XLogP of 49.76, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 159168891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).