5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

C64H50F2N2O3 — CID 90262742

About 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (PubChem CID 90262742) has the molecular formula C64H50F2N2O3 and a molecular weight of 933.11 g/mol. Its IUPAC name is 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.

Molecular Properties

• Compound Name: 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
• PubChem CID: 90262742
• Molecular Formula: C64H50F2N2O3
• Molecular Weight: 933.11 g/mol
• Exact Mass: 932.38
• IUPAC Name: 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
• SMILES: Fc1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc4c23)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
• InChI: InChI=1S/C64H50F2N2O3/c65-41-27-31-43(32-28-41)67(55-25-11-23-52-50-21-9-19-46(61(50)70-63(52)55)39-13-3-1-4-14-39)45-35-36-54-58(37-45)69-59-38-57(48-17-7-8-18-49(48)60(54)59)68(44-33-29-42(66)30-34-44)56-26-12-24-53-51-22-10-20-47(62(51)71-64(53)56)40-15-5-2-6-16-40/h7-12,17-40H,1-6,13-16H2
• InChIKey: LPWCMJJDJKAPEF-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 45.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.11
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?

The IUPAC name of 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (CID 90262742) is 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.

What is the SMILES notation for 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?

The canonical SMILES for 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is Fc1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc4c23)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.

What is the InChIKey of 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?

The InChIKey is LPWCMJJDJKAPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50F2N2O3/c65-41-27-31-43(32-28-41)67(55-25-11-23-52-50-21-9-19-46(61(50)70-63(52)55)39-13-3-1-4-14-39)45-35-36-54-58(37-45)69-59-38-57(48-17-7-8-18-49(48)60(54)59)68(44-33-29-42(66)30-34-44)56-26-12-24-53-51-22-10-20-47(62(51)71-64(53)56)40-15-5-2-6-16-40/h7-12,17-40H,1-6,13-16H2.

What are the key properties of 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?

5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine has a molecular weight of 933.11 g/mol, XLogP of 19.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 90262742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).