5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole

C64H36N6O2 — CID 154603075

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 154603075) has the molecular formula C64H36N6O2 and a molecular weight of 921.03 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 154603075
• Molecular Formula: C64H36N6O2
• Molecular Weight: 921.03 g/mol
• Exact Mass: 920.29
• IUPAC Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: [C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
• InChI: InChI=1S/C64H36N6O2/c1-65-41-29-33-52(69-50-24-12-8-22-47(50)58-53(69)34-31-45-43-20-10-14-26-56(43)71-60(45)58)49(37-41)42-30-28-40(64-67-62(38-16-4-2-5-17-38)66-63(68-64)39-18-6-3-7-19-39)36-55(42)70-51-25-13-9-23-48(51)59-54(70)35-32-46-44-21-11-15-27-57(44)72-61(46)59/h2-37H
• InChIKey: BNIOHTLVVXVZJQ-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 79.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.03
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole (CID 154603075) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.

What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is BNIOHTLVVXVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N6O2/c1-65-41-29-33-52(69-50-24-12-8-22-47(50)58-53(69)34-31-45-43-20-10-14-26-56(43)71-60(45)58)49(37-41)42-30-28-40(64-67-62(38-16-4-2-5-17-38)66-63(68-64)39-18-6-3-7-19-39)36-55(42)70-51-25-13-9-23-48(51)59-54(70)35-32-46-44-21-11-15-27-57(44)72-61(46)59/h2-37H.

What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole?

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 921.03 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 154603075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).