2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C147H85N15O9 — CID 161272973

About 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 161272973) has the molecular formula C147H85N15O9 and a molecular weight of 2205.39 g/mol. Its IUPAC name is 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 161272973
• Molecular Formula: C147H85N15O9
• Molecular Weight: 2205.39 g/mol
• Exact Mass: 2203.67
• IUPAC Name: 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3OC2C(c2nc(-c3ccccc3)c3oc4ccccc4c3n2)=C1.C=C/C=C\C=C\c1nc(-c2cccc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)cc4c23)nc2c1oc1ccccc12.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c4c3)n2)cc1
• InChI: InChI=1S/C49H29N5O3.C49H27N5O3.C49H29N5O3/c1-3-12-28(13-4-1)42-45-43(35-17-8-10-21-39(35)57-45)51-49(50-42)36-19-11-18-34-37-26-30(23-25-40(37)56-44(34)36)47-52-46(29-14-5-2-6-15-29)53-48(54-47)31-22-24-33-32-16-7-9-20-38(32)55-41(33)27-31;1-3-11-28(12-4-1)43-45-44(36-16-8-10-18-39(36)57-45)51-47(50-43)31-20-23-35-37-25-30(21-24-40(37)56-42(35)26-31)48-52-46(29-13-5-2-6-14-29)53-49(54-48)32-19-22-34-33-15-7-9-17-38(33)55-41(34)27-32;1-2-3-4-8-19-37-45-44(34-17-10-12-21-39(34)57-45)51-49(50-37)35-18-13-22-41-43(35)36-27-30(24-26-40(36)55-41)47-52-46(29-14-6-5-7-15-29)53-48(54-47)31-23-25-33-32-16-9-11-20-38(32)56-42(33)28-31/h1-27,34,44H;1-27H;2-28H,1H2/b;;4-3-,19-8+
• InChIKey: VEBLMFDUNLRBTH-LGMDAYEQSA-N
• XLogP: 37.10
• TPSA: 307.70 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2205.39
LogP ≤ 5	37.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 161272973) is 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3OC2C(c2nc(-c3ccccc3)c3oc4ccccc4c3n2)=C1.C=C/C=C\C=C\c1nc(-c2cccc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)cc4c23)nc2c1oc1ccccc12.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c4c3)n2)cc1.

What is the InChIKey of 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is VEBLMFDUNLRBTH-LGMDAYEQSA-N. The full InChI is InChI=1S/C49H29N5O3.C49H27N5O3.C49H29N5O3/c1-3-12-28(13-4-1)42-45-43(35-17-8-10-21-39(35)57-45)51-49(50-42)36-19-11-18-34-37-26-30(23-25-40(37)56-44(34)36)47-52-46(29-14-5-2-6-15-29)53-48(54-47)31-22-24-33-32-16-7-9-20-38(32)55-41(33)27-31;1-3-11-28(12-4-1)43-45-44(36-16-8-10-18-39(36)57-45)51-47(50-43)31-20-23-35-37-25-30(21-24-40(37)56-42(35)26-31)48-52-46(29-13-5-2-6-14-29)53-49(54-48)32-19-22-34-33-15-7-9-17-38(33)55-41(34)27-32;1-2-3-4-8-19-37-45-44(34-17-10-12-21-39(34)57-45)51-49(50-37)35-18-13-22-41-43(35)36-27-30(24-26-40(36)55-41)47-52-46(29-14-6-5-7-15-29)53-48(54-47)31-23-25-33-32-16-9-11-20-38(32)56-42(33)28-31/h1-27,34,44H;1-27H;2-28H,1H2/b;;4-3-,19-8+.

What are the key properties of 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2205.39 g/mol, XLogP of 37.10, 17 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[(1E,3Z)-hexa-1,3,5-trienyl]-[1]benzofuro[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 161272973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).