2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]

C70H48N2O — CID 118465153

About 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]

2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] (PubChem CID 118465153) has the molecular formula C70H48N2O and a molecular weight of 933.17 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine].

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
• PubChem CID: 118465153
• Molecular Formula: C70H48N2O
• Molecular Weight: 933.17 g/mol
• Exact Mass: 932.38
• IUPAC Name: 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3ccc(N4c5ccccc5C5(c6ccccc6N(c6ccc(-c7ccccc7)cc6)c6ccccc65)c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)c21
• InChI: InChI=1S/C70H48N2O/c1-69(2)57-26-8-6-20-53(57)55-24-16-22-51(67(55)69)47-36-41-50(42-37-47)72-64-32-14-11-29-60(64)70(61-44-48(38-43-65(61)72)52-23-17-25-56-54-21-7-15-33-66(54)73-68(52)56)58-27-9-12-30-62(58)71(63-31-13-10-28-59(63)70)49-39-34-46(35-40-49)45-18-4-3-5-19-45/h3-44H,1-2H3
• InChIKey: HVVISPILQSZVMO-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.17
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]?

The IUPAC name of 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] (CID 118465153) is 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine].

What is the SMILES notation for 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]?

The canonical SMILES for 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] is CC1(C)c2ccccc2-c2cccc(-c3ccc(N4c5ccccc5C5(c6ccccc6N(c6ccc(-c7ccccc7)cc6)c6ccccc65)c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)c21.

What is the InChIKey of 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]?

The InChIKey is HVVISPILQSZVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2O/c1-69(2)57-26-8-6-20-53(57)55-24-16-22-51(67(55)69)47-36-41-50(42-37-47)72-64-32-14-11-29-60(64)70(61-44-48(38-43-65(61)72)52-23-17-25-56-54-21-7-15-33-66(54)73-68(52)56)58-27-9-12-30-62(58)71(63-31-13-10-28-59(63)70)49-39-34-46(35-40-49)45-18-4-3-5-19-45/h3-44H,1-2H3.

What are the key properties of 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]?

2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] has a molecular weight of 933.17 g/mol, XLogP of 18.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] is sourced from PubChem (CID 118465153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).