3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole

C143H89N5O — CID 158963773

About 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole

3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole (PubChem CID 158963773) has the molecular formula C143H89N5O and a molecular weight of 1893.32 g/mol. Its IUPAC name is 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole.

Molecular Properties

• Compound Name: 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole
• PubChem CID: 158963773
• Molecular Formula: C143H89N5O
• Molecular Weight: 1893.32 g/mol
• Exact Mass: 1891.71
• IUPAC Name: 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc3)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc6oc7ccccc7c6c5)ccc4c(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)nc4)c3c2)cc1
• InChI: InChI=1S/C74H46N2O.C69H43N3/c1-4-18-47(19-5-1)49-32-37-57-62(43-49)73(58-38-33-50(44-61(58)72(57)48-20-6-2-7-21-48)51-36-41-71-60(42-51)56-25-11-17-31-70(56)77-71)53-35-40-67(75-46-53)52-34-39-64-59(45-52)55-24-10-12-26-63(55)74(64)65-27-13-15-29-68(65)76(54-22-8-3-9-23-54)69-30-16-14-28-66(69)74;1-3-17-45(18-4-1)66-55-24-7-8-25-56(55)67(57-39-35-47(41-58(57)66)44-31-33-46(34-32-44)68-71-64-29-15-16-30-65(64)72(68)50-19-5-2-6-20-50)49-37-40-63(70-43-49)48-36-38-54-53-23-11-14-28-61(53)69(62(54)42-48)59-26-12-9-21-51(59)52-22-10-13-27-60(52)69/h1-46H;1-43H
• InChIKey: JMYCHKKDHURRSU-UHFFFAOYSA-N
• XLogP: 37.17
• TPSA: 59.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1893.32
LogP ≤ 5	37.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole?

The IUPAC name of 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole (CID 158963773) is 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole.

What is the SMILES notation for 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole?

The canonical SMILES for 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc3)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc6oc7ccccc7c6c5)ccc4c(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)nc4)c3c2)cc1.

What is the InChIKey of 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole?

The InChIKey is JMYCHKKDHURRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2O.C69H43N3/c1-4-18-47(19-5-1)49-32-37-57-62(43-49)73(58-38-33-50(44-61(58)72(57)48-20-6-2-7-21-48)51-36-41-71-60(42-51)56-25-11-17-31-70(56)77-71)53-35-40-67(75-46-53)52-34-39-64-59(45-52)55-24-10-12-26-63(55)74(64)65-27-13-15-29-68(65)76(54-22-8-3-9-23-54)69-30-16-14-28-66(69)74;1-3-17-45(18-4-1)66-55-24-7-8-25-56(55)67(57-39-35-47(41-58(57)66)44-31-33-46(34-32-44)68-71-64-29-15-16-30-65(64)72(68)50-19-5-2-6-20-50)49-37-40-63(70-43-49)48-36-38-54-53-23-11-14-28-61(53)69(62(54)42-48)59-26-12-9-21-51(59)52-22-10-13-27-60(52)69/h1-46H;1-43H.

What are the key properties of 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole?

3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole has a molecular weight of 1893.32 g/mol, XLogP of 37.17, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 158963773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).