2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

C148H91N13O3 — CID 161492572

About 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 161492572) has the molecular formula C148H91N13O3 and a molecular weight of 2099.44 g/mol. Its IUPAC name is 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 161492572
• Molecular Formula: C148H91N13O3
• Molecular Weight: 2099.44 g/mol
• Exact Mass: 2097.74
• IUPAC Name: 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5nc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c6oc7ccccc7c6n5)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)c6oc7ccccc7c6n5)cc4)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)cc3)nc3ccccc23)cc1
• InChI: InChI=1S/C62H39N5O.C50H30N4O.C36H22N4O/c1-4-16-40(17-5-1)44-20-14-22-46(36-44)53-39-54(47-23-15-21-45(37-47)41-18-6-2-7-19-41)64-61(63-53)42-30-32-43(33-31-42)62-65-58(60-59(66-62)52-27-11-13-29-57(52)68-60)48-34-35-51-50-26-10-12-28-55(50)67(56(51)38-48)49-24-8-3-9-25-49;1-2-13-31(14-3-1)34-16-12-17-36(29-34)45-40-21-8-10-23-43(40)51-49(52-45)32-25-27-33(28-26-32)50-53-46-41-22-9-11-24-44(41)55-48(46)47(54-50)42-30-35-15-4-5-18-37(35)38-19-6-7-20-39(38)42;1-3-11-23(12-4-1)31-27-15-7-9-17-29(27)37-35(38-31)25-19-21-26(22-20-25)36-39-32(24-13-5-2-6-14-24)34-33(40-36)28-16-8-10-18-30(28)41-34/h1-39H;1-30H;1-22H
• InChIKey: WFUQGLBFOMFTST-UHFFFAOYSA-N
• XLogP: 37.88
• TPSA: 199.03 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.44
LogP ≤ 5	37.88
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 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 161492572) is 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5nc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c6oc7ccccc7c6n5)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)c6oc7ccccc7c6n5)cc4)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)cc3)nc3ccccc23)cc1.

What is the InChIKey of 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is WFUQGLBFOMFTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N5O.C50H30N4O.C36H22N4O/c1-4-16-40(17-5-1)44-20-14-22-46(36-44)53-39-54(47-23-15-21-45(37-47)41-18-6-2-7-19-41)64-61(63-53)42-30-32-43(33-31-42)62-65-58(60-59(66-62)52-27-11-13-29-57(52)68-60)48-34-35-51-50-26-10-12-28-55(50)67(56(51)38-48)49-24-8-3-9-25-49;1-2-13-31(14-3-1)34-16-12-17-36(29-34)45-40-21-8-10-23-43(40)51-49(52-45)32-25-27-33(28-26-32)50-53-46-41-22-9-11-24-44(41)55-48(46)47(54-50)42-30-35-15-4-5-18-37(35)38-19-6-7-20-39(38)42;1-3-11-23(12-4-1)31-27-15-7-9-17-29(27)37-35(38-31)25-19-21-26(22-20-25)36-39-32(24-13-5-2-6-14-24)34-33(40-36)28-16-8-10-18-30(28)41-34/h1-39H;1-30H;1-22H.

What are the key properties of 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?

2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2099.44 g/mol, XLogP of 37.88, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 161492572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).