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

C86H72N6O2 — CID 153432339

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

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 153432339) has the molecular formula C86H72N6O2 and a molecular weight of 1221.56 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 153432339
• Molecular Formula: C86H72N6O2
• Molecular Weight: 1221.56 g/mol
• Exact Mass: 1220.57
• IUPAC Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: [C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)ccc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1
• InChI: InChI=1S/C86H72N6O2/c1-83(2,3)55-42-53(43-56(48-55)84(4,5)6)81-88-80(89-82(90-81)54-44-57(85(7,8)9)49-58(45-54)86(10,11)12)52-33-39-70(91-68-26-18-14-24-65(68)76-71(91)40-37-63-61-22-16-20-28-74(61)93-78(63)76)67(46-52)60-36-32-51(50-30-34-59(87-13)35-31-50)47-73(60)92-69-27-19-15-25-66(69)77-72(92)41-38-64-62-23-17-21-29-75(62)94-79(64)77/h14-49H,1-12H3
• InChIKey: FEKLAANQJSJZOD-UHFFFAOYSA-N
• XLogP: 23.94
• TPSA: 79.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.56
LogP ≤ 5	23.94
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)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 153432339) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

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

The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is [C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)ccc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1.

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

The InChIKey is FEKLAANQJSJZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H72N6O2/c1-83(2,3)55-42-53(43-56(48-55)84(4,5)6)81-88-80(89-82(90-81)54-44-57(85(7,8)9)49-58(45-54)86(10,11)12)52-33-39-70(91-68-26-18-14-24-65(68)76-71(91)40-37-63-61-22-16-20-28-74(61)93-78(63)76)67(46-52)60-36-32-51(50-30-34-59(87-13)35-31-50)47-73(60)92-69-27-19-15-25-66(69)77-72(92)41-38-64-62-23-17-21-29-75(62)94-79(64)77/h14-49H,1-12H3.

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

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1221.56 g/mol, XLogP of 23.94, 7 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)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 153432339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).