1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline

C202H132N16 — CID 160543284

About 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline

1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline (PubChem CID 160543284) has the molecular formula C202H132N16 and a molecular weight of 2783.39 g/mol. Its IUPAC name is 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline.

Molecular Properties

• Compound Name: 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline
• PubChem CID: 160543284
• Molecular Formula: C202H132N16
• Molecular Weight: 2783.39 g/mol
• Exact Mass: 2781.08
• IUPAC Name: 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccn6)cc(-c6ccccn6)n5)cc4)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc(-c6cccnc6)cc(-c6cccnc6)n5)cc4)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc7ccc8ccccc8c67)cc5)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc7ccc8ccccc8c67)cc5)cc4)n3)c2)cc1
• InChI: InChI=1S/C59H39N3.C53H35N3.2C45H29N5/c1-4-14-40(15-5-1)48-21-12-23-50(36-48)56-39-57(51-24-13-22-49(37-51)41-16-6-2-7-17-41)62-59(61-56)47-32-28-43(29-33-47)42-26-30-45(31-27-42)53-38-55(46-19-8-3-9-20-46)60-54-35-34-44-18-10-11-25-52(44)58(53)54;1-4-13-36(14-5-1)44-20-12-21-45(33-44)51-35-50(42-18-8-3-9-19-42)55-53(56-51)43-29-25-38(26-30-43)37-23-27-40(28-24-37)47-34-49(41-16-6-2-7-17-41)54-48-32-31-39-15-10-11-22-46(39)52(47)48;1-2-11-34(12-3-1)41-28-37(44-36-13-5-4-10-32(36)24-25-40(44)48-41)33-20-16-30(17-21-33)31-18-22-35(23-19-31)45-49-42(38-14-6-8-26-46-38)29-43(50-45)39-15-7-9-27-47-39;1-2-9-34(10-3-1)41-26-39(44-38-13-5-4-8-32(38)22-23-40(44)48-41)33-18-14-30(15-19-33)31-16-20-35(21-17-31)45-49-42(36-11-6-24-46-28-36)27-43(50-45)37-12-7-25-47-29-37/h1-39H;1-35H;2*1-29H
• InChIKey: QXBQPDOKWXOPJR-UHFFFAOYSA-N
• XLogP: 51.30
• TPSA: 206.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 27
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2783.39
LogP ≤ 5	51.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline?

The IUPAC name of 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline (CID 160543284) is 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline.

What is the SMILES notation for 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline?

The canonical SMILES for 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccn6)cc(-c6ccccn6)n5)cc4)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc(-c6cccnc6)cc(-c6cccnc6)n5)cc4)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc7ccc8ccccc8c67)cc5)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc7ccc8ccccc8c67)cc5)cc4)n3)c2)cc1.

What is the InChIKey of 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline?

The InChIKey is QXBQPDOKWXOPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3.C53H35N3.2C45H29N5/c1-4-14-40(15-5-1)48-21-12-23-50(36-48)56-39-57(51-24-13-22-49(37-51)41-16-6-2-7-17-41)62-59(61-56)47-32-28-43(29-33-47)42-26-30-45(31-27-42)53-38-55(46-19-8-3-9-20-46)60-54-35-34-44-18-10-11-25-52(44)58(53)54;1-4-13-36(14-5-1)44-20-12-21-45(33-44)51-35-50(42-18-8-3-9-19-42)55-53(56-51)43-29-25-38(26-30-43)37-23-27-40(28-24-37)47-34-49(41-16-6-2-7-17-41)54-48-32-31-39-15-10-11-22-46(39)52(47)48;1-2-11-34(12-3-1)41-28-37(44-36-13-5-4-10-32(36)24-25-40(44)48-41)33-20-16-30(17-21-33)31-18-22-35(23-19-31)45-49-42(38-14-6-8-26-46-38)29-43(50-45)39-15-7-9-27-47-39;1-2-9-34(10-3-1)41-26-39(44-38-13-5-4-8-32(38)22-23-40(44)48-41)33-18-14-30(15-19-33)31-16-20-35(21-17-31)45-49-42(36-11-6-24-46-28-36)27-43(50-45)37-12-7-25-47-29-37/h1-39H;1-35H;2*1-29H.

What are the key properties of 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline?

1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline has a molecular weight of 2783.39 g/mol, XLogP of 51.30, 27 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;3-phenyl-1-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]benzo[f]quinoline is sourced from PubChem (CID 160543284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).