2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C92H54N4O2 — CID 123240933

About 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 123240933) has the molecular formula C92H54N4O2 and a molecular weight of 1247.47 g/mol. Its IUPAC name is 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 123240933
• Molecular Formula: C92H54N4O2
• Molecular Weight: 1247.47 g/mol
• Exact Mass: 1246.42
• IUPAC Name: 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)c4)nc4c3oc3cc(-c5cccc6c(-c7cccc(-c8cccc(-c9nc(-c%10ccccc%10)c%10oc%11ccccc%11c%10n9)c8)c7)cc7ccccc7c56)ccc34)c2)cc1
• InChI: InChI=1S/C92H54N4O2/c1-3-20-55(21-4-1)57-25-15-32-66(50-57)86-90-88(96-92(94-86)68-34-16-28-60(51-68)58-26-13-30-62(48-58)69-46-47-77-73-37-10-9-36-72(73)75-41-19-40-74(69)84(75)77)79-45-44-65(54-82(79)98-90)71-39-18-42-76-80(53-64-24-7-8-35-70(64)83(71)76)63-31-14-27-59(49-63)61-29-17-33-67(52-61)91-93-85(56-22-5-2-6-23-56)89-87(95-91)78-38-11-12-43-81(78)97-89/h1-54H
• InChIKey: WPGHOBVBIAANCP-UHFFFAOYSA-N
• XLogP: 24.84
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1247.47
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 123240933) is 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)c4)nc4c3oc3cc(-c5cccc6c(-c7cccc(-c8cccc(-c9nc(-c%10ccccc%10)c%10oc%11ccccc%11c%10n9)c8)c7)cc7ccccc7c56)ccc34)c2)cc1.

What is the InChIKey of 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is WPGHOBVBIAANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54N4O2/c1-3-20-55(21-4-1)57-25-15-32-66(50-57)86-90-88(96-92(94-86)68-34-16-28-60(51-68)58-26-13-30-62(48-58)69-46-47-77-73-37-10-9-36-72(73)75-41-19-40-74(69)84(75)77)79-45-44-65(54-82(79)98-90)71-39-18-42-76-80(53-64-24-7-8-35-70(64)83(71)76)63-31-14-27-59(49-63)61-29-17-33-67(52-61)91-93-85(56-22-5-2-6-23-56)89-87(95-91)78-38-11-12-43-81(78)97-89/h1-54H.

What are the key properties of 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?

2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1247.47 g/mol, XLogP of 24.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-fluoranthen-3-ylphenyl)phenyl]-7-[10-[3-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenanthren-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 123240933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).