N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

C66H48N2O — CID 138577371

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (PubChem CID 138577371) has the molecular formula C66H48N2O and a molecular weight of 885.12 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
• PubChem CID: 138577371
• Molecular Formula: C66H48N2O
• Molecular Weight: 885.12 g/mol
• Exact Mass: 884.38
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3cc(-c5ccccc5)ccc3C4(C)C)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc21
• InChI: InChI=1S/C66H48N2O/c1-65(2)54-34-29-42(41-17-7-5-8-18-41)38-51(54)63-55(65)24-15-26-59(63)68(46-32-33-48-47-21-11-13-23-53(47)66(3,4)56(48)40-46)60-27-16-28-62-64(60)52-39-44(31-36-61(52)69-62)43-30-35-58-50(37-43)49-22-12-14-25-57(49)67(58)45-19-9-6-10-20-45/h5-40H,1-4H3
• InChIKey: JHRVNRLTSWVCDE-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.12
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (CID 138577371) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3cc(-c5ccccc5)ccc3C4(C)C)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?

The InChIKey is JHRVNRLTSWVCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2O/c1-65(2)54-34-29-42(41-17-7-5-8-18-41)38-51(54)63-55(65)24-15-26-59(63)68(46-32-33-48-47-21-11-13-23-53(47)66(3,4)56(48)40-46)60-27-16-28-62-64(60)52-39-44(31-36-61(52)69-62)43-30-35-58-50(37-43)49-22-12-14-25-57(49)67(58)45-19-9-6-10-20-45/h5-40H,1-4H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine has a molecular weight of 885.12 g/mol, XLogP of 18.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is sourced from PubChem (CID 138577371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).