1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran

C106H68O4 — CID 159724531

About 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran

1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran (PubChem CID 159724531) has the molecular formula C106H68O4 and a molecular weight of 1405.71 g/mol. Its IUPAC name is 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran
• PubChem CID: 159724531
• Molecular Formula: C106H68O4
• Molecular Weight: 1405.71 g/mol
• Exact Mass: 1404.51
• IUPAC Name: 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran
• SMILES: CC1(C)c2ccccc2-c2c(-c3c4cccc(-c5ccc6oc7ccccc7c6c5)c4cc4c(-c5ccc6oc7ccccc7c6c5)cccc34)cccc21.CC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)cccc21
• InChI: InChI=1S/2C53H34O2/c1-53(2)43-24-6-3-14-37(43)50-40(23-11-25-44(50)53)49-35-19-9-17-31(33-21-12-28-47-51(33)38-15-4-7-26-45(38)54-47)41(35)30-42-32(18-10-20-36(42)49)34-22-13-29-48-52(34)39-16-5-8-27-46(39)55-48;1-53(2)45-20-6-3-14-39(45)52-40(19-11-21-46(52)53)51-37-17-9-15-33(31-24-26-49-43(28-31)35-12-4-7-22-47(35)54-49)41(37)30-42-34(16-10-18-38(42)51)32-25-27-50-44(29-32)36-13-5-8-23-48(36)55-50/h2*3-30H,1-2H3
• InChIKey: NALSAQSTCNSPLD-UHFFFAOYSA-N
• XLogP: 30.20
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1405.71
LogP ≤ 5	30.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran?

The IUPAC name of 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran (CID 159724531) is 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran.

What is the SMILES notation for 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran?

The canonical SMILES for 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran is CC1(C)c2ccccc2-c2c(-c3c4cccc(-c5ccc6oc7ccccc7c6c5)c4cc4c(-c5ccc6oc7ccccc7c6c5)cccc34)cccc21.CC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)cccc21.

What is the InChIKey of 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran?

The InChIKey is NALSAQSTCNSPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H34O2/c1-53(2)43-24-6-3-14-37(43)50-40(23-11-25-44(50)53)49-35-19-9-17-31(33-21-12-28-47-51(33)38-15-4-7-26-45(38)54-47)41(35)30-42-32(18-10-20-36(42)49)34-22-13-29-48-52(34)39-16-5-8-27-46(39)55-48;1-53(2)45-20-6-3-14-39(45)52-40(19-11-21-46(52)53)51-37-17-9-15-33(31-24-26-49-43(28-31)35-12-4-7-22-47(35)54-49)41(37)30-42-34(16-10-18-38(42)51)32-25-27-50-44(29-32)36-13-5-8-23-48(36)55-50/h2*3-30H,1-2H3.

What are the key properties of 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran?

1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran has a molecular weight of 1405.71 g/mol, XLogP of 30.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 159724531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).