3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

C210H128N12O4 — CID 158287308

About 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 158287308) has the molecular formula C210H128N12O4 and a molecular weight of 2883.41 g/mol. Its IUPAC name is 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

• Compound Name: 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
• PubChem CID: 158287308
• Molecular Formula: C210H128N12O4
• Molecular Weight: 2883.41 g/mol
• Exact Mass: 2881.02
• IUPAC Name: 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)nc(-c5cc7ccccc7c7ccccc57)c5c7ccccc7oc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(c4)nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)n3)cc2)cc1
• InChI: InChI=1S/C57H35N3O.3C51H31N3O/c1-3-13-36(14-4-1)37-23-27-40(28-24-37)51-35-50(39-15-5-2-6-16-39)59-57(60-51)41-29-25-38(26-30-41)42-31-32-47-52(34-42)58-55(54-48-21-11-12-22-53(48)61-56(47)54)49-33-43-17-7-8-18-44(43)45-19-9-10-20-46(45)49;1-3-13-33(14-4-1)44-31-45(34-15-5-2-6-16-34)54-51(53-44)35-25-23-32(24-26-35)36-27-28-41-46(30-36)52-49(48-42-21-11-12-22-47(42)55-50(41)48)43-29-37-17-7-8-18-38(37)39-19-9-10-20-40(39)43;1-3-13-32(14-4-1)33-23-25-34(26-24-33)44-31-45(54-51(53-44)35-15-5-2-6-16-35)37-27-28-41-46(30-37)52-49(48-42-21-11-12-22-47(42)55-50(41)48)43-29-36-17-7-8-18-38(36)39-19-9-10-20-40(39)43;1-3-13-32(14-4-1)33-23-25-35(26-24-33)51-53-44(34-15-5-2-6-16-34)31-45(54-51)37-27-28-41-46(30-37)52-49(48-42-21-11-12-22-47(42)55-50(41)48)43-29-36-17-7-8-18-38(36)39-19-9-10-20-40(39)43/h1-35H;3*1-31H
• InChIKey: GKXWZYQZXRGGGG-UHFFFAOYSA-N
• XLogP: 55.93
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2883.41
LogP ≤ 5	55.93
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 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The IUPAC name of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 158287308) is 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

What is the SMILES notation for 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The canonical SMILES for 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)nc(-c5cc7ccccc7c7ccccc57)c5c7ccccc7oc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(c4)nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)n3)cc2)cc1.

What is the InChIKey of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The InChIKey is GKXWZYQZXRGGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O.3C51H31N3O/c1-3-13-36(14-4-1)37-23-27-40(28-24-37)51-35-50(39-15-5-2-6-16-39)59-57(60-51)41-29-25-38(26-30-41)42-31-32-47-52(34-42)58-55(54-48-21-11-12-22-53(48)61-56(47)54)49-33-43-17-7-8-18-44(43)45-19-9-10-20-46(45)49;1-3-13-33(14-4-1)44-31-45(34-15-5-2-6-16-34)54-51(53-44)35-25-23-32(24-26-35)36-27-28-41-46(30-36)52-49(48-42-21-11-12-22-47(42)55-50(41)48)43-29-37-17-7-8-18-38(37)39-19-9-10-20-40(39)43;1-3-13-32(14-4-1)33-23-25-34(26-24-33)44-31-45(54-51(53-44)35-15-5-2-6-16-35)37-27-28-41-46(30-37)52-49(48-42-21-11-12-22-47(42)55-50(41)48)43-29-36-17-7-8-18-38(36)39-19-9-10-20-40(39)43;1-3-13-32(14-4-1)33-23-25-35(26-24-33)51-53-44(34-15-5-2-6-16-34)31-45(54-51)37-27-28-41-46(30-37)52-49(48-42-21-11-12-22-47(42)55-50(41)48)43-29-36-17-7-8-18-38(36)39-19-9-10-20-40(39)43/h1-35H;3*1-31H.

What are the key properties of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 2883.41 g/mol, XLogP of 55.93, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 158287308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).