1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine

C58H49NO — CID 164774372

About 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine

1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine (PubChem CID 164774372) has the molecular formula C58H49NO and a molecular weight of 776.04 g/mol. Its IUPAC name is 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine
• PubChem CID: 164774372
• Molecular Formula: C58H49NO
• Molecular Weight: 776.04 g/mol
• Exact Mass: 775.38
• IUPAC Name: 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3cc4ccccc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(C4CCCCC4)c4c3oc3ccccc34)ccc21
• InChI: InChI=1S/C58H49NO/c1-57(2)49-24-14-11-21-43(49)47-35-40(27-30-50(47)57)59(52-31-29-41(36-16-6-5-7-17-36)55-45-22-12-15-25-54(45)60-56(52)55)53-34-38-19-9-8-18-37(38)32-46(53)39-26-28-44-42-20-10-13-23-48(42)58(3,4)51(44)33-39/h8-15,18-36H,5-7,16-17H2,1-4H3
• InChIKey: PKFGYHMUBIPZQK-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.04
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine?

The IUPAC name of 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine (CID 164774372) is 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine.

What is the SMILES notation for 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine?

The canonical SMILES for 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine is CC1(C)c2ccccc2-c2cc(N(c3cc4ccccc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(C4CCCCC4)c4c3oc3ccccc34)ccc21.

What is the InChIKey of 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine?

The InChIKey is PKFGYHMUBIPZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49NO/c1-57(2)49-24-14-11-21-43(49)47-35-40(27-30-50(47)57)59(52-31-29-41(36-16-6-5-7-17-36)55-45-22-12-15-25-54(45)60-56(52)55)53-34-38-19-9-8-18-37(38)32-46(53)39-26-28-44-42-20-10-13-23-48(42)58(3,4)51(44)33-39/h8-15,18-36H,5-7,16-17H2,1-4H3.

What are the key properties of 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine?

1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine has a molecular weight of 776.04 g/mol, XLogP of 16.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine is sourced from PubChem (CID 164774372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).