5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine

C103H60N2O3 — CID 162042646

About 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine

5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine (PubChem CID 162042646) has the molecular formula C103H60N2O3 and a molecular weight of 1373.62 g/mol. Its IUPAC name is 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine.

Molecular Properties

• Compound Name: 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine
• PubChem CID: 162042646
• Molecular Formula: C103H60N2O3
• Molecular Weight: 1373.62 g/mol
• Exact Mass: 1372.46
• IUPAC Name: 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cn3)cc21.c1ccc2cc3c(cc2c1)oc1ccc(-c2ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cn2)cc13
• InChI: InChI=1S/C56H33NO.C47H27NO2/c1-3-19-44-42(17-1)54(35-27-30-53-46(31-35)41-16-8-12-24-52(41)58-53)43-18-2-4-20-45(43)55(44)36-26-29-51(57-33-36)34-25-28-40-39-15-7-11-23-49(39)56(50(40)32-34)47-21-9-5-13-37(47)38-14-6-10-22-48(38)56;1-2-10-29-26-45-40(23-28(29)9-1)39-24-30(18-21-44(39)50-45)41-20-17-32(27-48-41)47-36-14-5-3-12-34(36)46(35-13-4-6-15-37(35)47)31-19-22-43-38(25-31)33-11-7-8-16-42(33)49-43/h1-33H;1-27H
• InChIKey: YXMBYWWYZVOFHX-UHFFFAOYSA-N
• XLogP: 27.97
• TPSA: 65.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1373.62
LogP ≤ 5	27.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine?

The IUPAC name of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine (CID 162042646) is 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine.

What is the SMILES notation for 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine?

The canonical SMILES for 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cn3)cc21.c1ccc2cc3c(cc2c1)oc1ccc(-c2ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cn2)cc13.

What is the InChIKey of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine?

The InChIKey is YXMBYWWYZVOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33NO.C47H27NO2/c1-3-19-44-42(17-1)54(35-27-30-53-46(31-35)41-16-8-12-24-52(41)58-53)43-18-2-4-20-45(43)55(44)36-26-29-51(57-33-36)34-25-28-40-39-15-7-11-23-49(39)56(50(40)32-34)47-21-9-5-13-37(47)38-14-6-10-22-48(38)56;1-2-10-29-26-45-40(23-28(29)9-1)39-24-30(18-21-44(39)50-45)41-20-17-32(27-48-41)47-36-14-5-3-12-34(36)46(35-13-4-6-15-37(35)47)31-19-22-43-38(25-31)33-11-7-8-16-42(33)49-43/h1-33H;1-27H.

What are the key properties of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine?

5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine has a molecular weight of 1373.62 g/mol, XLogP of 27.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine is sourced from PubChem (CID 162042646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).