2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene

C171H126O2 — CID 160748906

About 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene

2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene (PubChem CID 160748906) has the molecular formula C171H126O2 and a molecular weight of 2212.89 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene.

Molecular Properties

• Compound Name: 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene
• PubChem CID: 160748906
• Molecular Formula: C171H126O2
• Molecular Weight: 2212.89 g/mol
• Exact Mass: 2210.98
• IUPAC Name: 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21
• InChI: InChI=1S/C59H46.2C56H40O/c1-57(2)49-23-13-10-17-39(49)46-33-37(28-31-51(46)57)54-41-18-7-8-19-42(41)55(45-21-15-25-52-56(45)44-20-11-14-24-50(44)58(52,3)4)43-30-27-35(32-47(43)54)36-26-29-40-38-16-9-12-22-48(38)59(5,6)53(40)34-36;1-55(2)48-22-11-8-15-37(48)45-31-35(26-29-49(45)55)52-40-17-5-6-18-41(40)53(44-20-13-19-43-39-16-9-12-23-51(39)57-54(43)44)42-28-25-33(30-46(42)52)34-24-27-38-36-14-7-10-21-47(36)56(3,4)50(38)32-34;1-55(2)48-19-11-8-14-38(48)44-30-35(23-27-49(44)55)54-42-17-6-5-16-41(42)53(36-24-28-52-45(31-36)40-15-9-12-20-51(40)57-52)43-26-22-33(29-46(43)54)34-21-25-39-37-13-7-10-18-47(37)56(3,4)50(39)32-34/h7-34H,1-6H3;2*5-32H,1-4H3
• InChIKey: RWNYYOLHFVAAAW-UHFFFAOYSA-N
• XLogP: 46.92
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2212.89
LogP ≤ 5	46.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene?

The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene (CID 160748906) is 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene.

What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene?

The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.

What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene?

The InChIKey is RWNYYOLHFVAAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46.2C56H40O/c1-57(2)49-23-13-10-17-39(49)46-33-37(28-31-51(46)57)54-41-18-7-8-19-42(41)55(45-21-15-25-52-56(45)44-20-11-14-24-50(44)58(52,3)4)43-30-27-35(32-47(43)54)36-26-29-40-38-16-9-12-22-48(38)59(5,6)53(40)34-36;1-55(2)48-22-11-8-15-37(48)45-31-35(26-29-49(45)55)52-40-17-5-6-18-41(40)53(44-20-13-19-43-39-16-9-12-23-51(39)57-54(43)44)42-28-25-33(30-46(42)52)34-24-27-38-36-14-7-10-21-47(36)56(3,4)50(38)32-34;1-55(2)48-19-11-8-14-38(48)44-30-35(23-27-49(44)55)54-42-17-6-5-16-41(42)53(36-24-28-52-45(31-36)40-15-9-12-20-51(40)57-52)43-26-22-33(29-46(43)54)34-21-25-39-37-13-7-10-18-47(37)56(3,4)50(39)32-34/h7-34H,1-6H3;2*5-32H,1-4H3.

What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene?

2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene has a molecular weight of 2212.89 g/mol, XLogP of 46.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene is sourced from PubChem (CID 160748906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).