11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole

C186H114N10O4 — CID 158019971

About 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole

11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole (PubChem CID 158019971) has the molecular formula C186H114N10O4 and a molecular weight of 2553.02 g/mol. Its IUPAC name is 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 158019971
• Molecular Formula: C186H114N10O4
• Molecular Weight: 2553.02 g/mol
• Exact Mass: 2550.90
• IUPAC Name: 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2cc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3cc4ccccc4c4ccccc34)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccc4c(ccc5ccccc54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/2C49H30N2O.2C44H27N3O/c1-3-14-31(15-4-1)42-28-34(29-43(50-42)32-16-5-2-6-17-32)36-23-13-24-39-40-26-27-45-47(49(40)52-48(36)39)41-22-11-12-25-44(41)51(45)46-30-33-18-7-8-19-35(33)37-20-9-10-21-38(37)46;1-3-12-31(13-4-1)35-29-43(33-15-5-2-6-16-33)50-44(30-35)41-20-11-19-39-40-26-27-46-47(49(40)52-48(39)41)42-18-9-10-21-45(42)51(46)36-24-25-38-34(28-36)23-22-32-14-7-8-17-37(32)38;1-3-14-29(15-4-1)36-27-37(30-16-5-2-6-17-30)46-44(45-36)35-22-12-21-32-33-25-26-40-41(43(33)48-42(32)35)34-20-9-10-23-39(34)47(40)38-24-11-18-28-13-7-8-19-31(28)38;1-3-13-29(14-4-1)37-27-38(46-44(45-37)30-15-5-2-6-16-30)35-20-11-19-33-34-24-25-40-41(43(34)48-42(33)35)36-18-9-10-21-39(36)47(40)32-23-22-28-12-7-8-17-31(28)26-32/h2*1-30H;2*1-27H
• InChIKey: FFYCABGAPXZHIC-UHFFFAOYSA-N
• XLogP: 50.03
• TPSA: 149.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2553.02
LogP ≤ 5	50.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole (CID 158019971) is 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3cc4ccccc4c4ccccc34)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccc4c(ccc5ccccc54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole?

The InChIKey is FFYCABGAPXZHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H30N2O.2C44H27N3O/c1-3-14-31(15-4-1)42-28-34(29-43(50-42)32-16-5-2-6-17-32)36-23-13-24-39-40-26-27-45-47(49(40)52-48(36)39)41-22-11-12-25-44(41)51(45)46-30-33-18-7-8-19-35(33)37-20-9-10-21-38(37)46;1-3-12-31(13-4-1)35-29-43(33-15-5-2-6-16-33)50-44(30-35)41-20-11-19-39-40-26-27-46-47(49(40)52-48(39)41)42-18-9-10-21-45(42)51(46)36-24-25-38-34(28-36)23-22-32-14-7-8-17-37(32)38;1-3-14-29(15-4-1)36-27-37(30-16-5-2-6-17-30)46-44(45-36)35-22-12-21-32-33-25-26-40-41(43(33)48-42(32)35)34-20-9-10-23-39(34)47(40)38-24-11-18-28-13-7-8-19-31(28)38;1-3-13-29(14-4-1)37-27-38(46-44(45-37)30-15-5-2-6-16-30)35-20-11-19-33-34-24-25-40-41(43(34)48-42(33)35)36-18-9-10-21-39(36)47(40)32-23-22-28-12-7-8-17-31(28)26-32/h2*1-30H;2*1-27H.

What are the key properties of 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole?

11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 2553.02 g/mol, XLogP of 50.03, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-2-yl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-yl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 158019971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).