N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine

C62H40INO2 — CID 163585483

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine (PubChem CID 163585483) has the molecular formula C62H40INO2 and a molecular weight of 957.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine
• PubChem CID: 163585483
• Molecular Formula: C62H40INO2
• Molecular Weight: 957.91 g/mol
• Exact Mass: 957.21
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine
• SMILES: CC1(I)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21
• InChI: InChI=1S/C62H40INO2/c1-62(63)56-37-45(39-10-3-2-4-11-39)26-33-50(56)51-34-32-48(38-57(51)62)64(47-30-24-42(25-31-47)44-27-35-60-55(36-44)53-13-6-7-16-58(53)65-60)46-28-22-41(23-29-46)40-18-20-43(21-19-40)49-14-9-15-54-52-12-5-8-17-59(52)66-61(49)54/h2-38H,1H3
• InChIKey: GLCSLHWTVAIGQT-UHFFFAOYSA-N
• XLogP: 18.30
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.91
LogP ≤ 5	18.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine?

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine (CID 163585483) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine?

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine is CC1(I)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.

What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine?

The InChIKey is GLCSLHWTVAIGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40INO2/c1-62(63)56-37-45(39-10-3-2-4-11-39)26-33-50(56)51-34-32-48(38-57(51)62)64(47-30-24-42(25-31-47)44-27-35-60-55(36-44)53-13-6-7-16-58(53)65-60)46-28-22-41(23-29-46)40-18-20-43(21-19-40)49-14-9-15-54-52-12-5-8-17-59(52)66-61(49)54/h2-38H,1H3.

What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine?

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine has a molecular weight of 957.91 g/mol, XLogP of 18.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-iodo-9-methyl-7-phenylfluoren-2-amine is sourced from PubChem (CID 163585483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).