N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C₅₆H₄₃NO — CID 156549318

About N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 156549318) has the molecular formula C₅₆H₄₃NO and a molecular weight of 745.97 g/mol. Its IUPAC name is N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 156549318
• Molecular Formula: C₅₆H₄₃NO
• Molecular Weight: 745.97 g/mol
• Exact Mass: 745.33
• IUPAC Name: N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4c-5oc5ccccc45)cc3)cc21
• InChI: InChI=1S/C56H43NO/c1-55(2)49-16-10-8-14-45(49)46-33-31-44(35-51(46)55)57(42-27-22-39(23-28-42)38-20-18-37(19-21-38)36-12-6-5-7-13-36)43-29-24-40(25-30-43)41-26-32-47-50(34-41)56(3,4)53-48-15-9-11-17-52(48)58-54(47)53/h5-35H,1-4H3
• InChIKey: GTDMKECTHXFOHA-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.97
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?

The IUPAC name of N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 156549318) is N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?

The canonical SMILES for N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4c-5oc5ccccc45)cc3)cc21.

What is the InChIKey of N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?

The InChIKey is GTDMKECTHXFOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NO/c1-55(2)49-16-10-8-14-45(49)46-33-31-44(35-51(46)55)57(42-27-22-39(23-28-42)38-20-18-37(19-21-38)36-12-6-5-7-13-36)43-29-24-40(25-30-43)41-26-32-47-50(34-41)56(3,4)53-48-15-9-11-17-52(48)58-54(47)53/h5-35H,1-4H3.

What are the key properties of N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?

N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 745.97 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 156549318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156549318 — identifiers, structure, computed properties (public domain)

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