5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine

C61H49NO — CID 171741065

About 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine

5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine (PubChem CID 171741065) has the molecular formula C61H49NO and a molecular weight of 812.07 g/mol. Its IUPAC name is 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
• PubChem CID: 171741065
• Molecular Formula: C61H49NO
• Molecular Weight: 812.07 g/mol
• Exact Mass: 811.38
• IUPAC Name: 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)ccc2-c2c(C3CCCCC3)cccc21
• InChI: InChI=1S/C61H49NO/c1-61(2)55-22-13-21-50(41-14-5-3-6-15-41)60(55)53-36-34-48(39-56(53)61)62(46-30-24-40(25-31-46)45-29-37-58-54(38-45)52-20-11-12-23-57(52)63-58)47-32-26-43(27-33-47)51-35-28-42-16-9-10-19-49(42)59(51)44-17-7-4-8-18-44/h4,7-13,16-39,41H,3,5-6,14-15H2,1-2H3
• InChIKey: JNZLPBQWTAJCIS-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.07
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?

The IUPAC name of 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine (CID 171741065) is 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)ccc2-c2c(C3CCCCC3)cccc21.

What is the InChIKey of 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?

The InChIKey is JNZLPBQWTAJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49NO/c1-61(2)55-22-13-21-50(41-14-5-3-6-15-41)60(55)53-36-34-48(39-56(53)61)62(46-30-24-40(25-31-46)45-29-37-58-54(38-45)52-20-11-12-23-57(52)63-58)47-32-26-43(27-33-47)51-35-28-42-16-9-10-19-49(42)59(51)44-17-7-4-8-18-44/h4,7-13,16-39,41H,3,5-6,14-15H2,1-2H3.

What are the key properties of 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?

5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine has a molecular weight of 812.07 g/mol, XLogP of 17.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171741065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).