4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C213H134N14O6 — CID 165011062

About 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 165011062) has the molecular formula C213H134N14O6 and a molecular weight of 2985.51 g/mol. Its IUPAC name is 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 165011062
• Molecular Formula: C213H134N14O6
• Molecular Weight: 2985.51 g/mol
• Exact Mass: 2983.06
• IUPAC Name: 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: [C-]#[N+]c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1-c1ccccc1.c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4ccccc4)c3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4)c3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c(-c4ccccc4)c3)c3oc4ccccc4c3n2)cc1
• InChI: InChI=1S/C58H36N4O.2C52H31N3O2.C51H36N4O/c1-5-19-37(20-6-1)46-35-40(53-57-54(45-29-15-18-32-51(45)63-57)60-58(59-53)39-23-9-3-10-24-39)36-47(38-21-7-2-8-22-38)55(46)62-49-31-17-14-28-44(49)52-50(62)34-33-43-42-27-13-16-30-48(42)61(56(43)52)41-25-11-4-12-26-41;1-4-16-32(17-5-1)40-30-35(47-51-48(39-24-12-15-27-45(39)57-51)54-52(53-47)34-20-8-3-9-21-34)31-41(33-18-6-2-7-19-33)49(40)55-42-25-13-10-23-38(42)46-43(55)29-28-37-36-22-11-14-26-44(36)56-50(37)46;1-4-16-32(17-5-1)39-28-35(48-51-49(38-24-12-15-27-46(38)57-51)54-52(53-48)34-20-8-3-9-21-34)29-40(33-18-6-2-7-19-33)50(39)55-43-25-13-10-22-36(43)41-31-47-42(30-44(41)55)37-23-11-14-26-45(37)56-47;1-51(2,3)36-24-26-43-41(30-36)42-31-37(52-4)25-27-44(42)55(43)48-39(32-16-8-5-9-17-32)28-35(29-40(48)33-18-10-6-11-19-33)46-49-47(38-22-14-15-23-45(38)56-49)54-50(53-46)34-20-12-7-13-21-34/h1-36H;2*1-31H;5-31H,1-3H3
• InChIKey: JSCJANFBHWWKTE-UHFFFAOYSA-N
• XLogP: 57.31
• TPSA: 210.97 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2985.51
LogP ≤ 5	57.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 165011062) is 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is [C-]#[N+]c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1-c1ccccc1.c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4ccccc4)c3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4)c3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c(-c4ccccc4)c3)c3oc4ccccc4c3n2)cc1.

What is the InChIKey of 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is JSCJANFBHWWKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O.2C52H31N3O2.C51H36N4O/c1-5-19-37(20-6-1)46-35-40(53-57-54(45-29-15-18-32-51(45)63-57)60-58(59-53)39-23-9-3-10-24-39)36-47(38-21-7-2-8-22-38)55(46)62-49-31-17-14-28-44(49)52-50(62)34-33-43-42-27-13-16-30-48(42)61(56(43)52)41-25-11-4-12-26-41;1-4-16-32(17-5-1)40-30-35(47-51-48(39-24-12-15-27-45(39)57-51)54-52(53-47)34-20-8-3-9-21-34)31-41(33-18-6-2-7-19-33)49(40)55-42-25-13-10-23-38(42)46-43(55)29-28-37-36-22-11-14-26-44(36)56-50(37)46;1-4-16-32(17-5-1)39-28-35(48-51-49(38-24-12-15-27-46(38)57-51)54-52(53-48)34-20-8-3-9-21-34)29-40(33-18-6-2-7-19-33)50(39)55-43-25-13-10-22-36(43)41-31-47-42(30-44(41)55)37-23-11-14-26-45(37)56-47;1-51(2,3)36-24-26-43-41(30-36)42-31-37(52-4)25-27-44(42)55(43)48-39(32-16-8-5-9-17-32)28-35(29-40(48)33-18-10-6-11-19-33)46-49-47(38-22-14-15-23-45(38)56-49)54-50(53-46)34-20-12-7-13-21-34/h1-36H;2*1-31H;5-31H,1-3H3.

What are the key properties of 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?

4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2985.51 g/mol, XLogP of 57.31, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-tert-butyl-6-isocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;11-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4-[3,5-diphenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 165011062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).