3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine

C64H41F2N3O2 — CID 156625985

About 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine

3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine (PubChem CID 156625985) has the molecular formula C64H41F2N3O2 and a molecular weight of 928.08 g/mol. Its IUPAC name is 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine.

Molecular Properties

• Compound Name: 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine
• PubChem CID: 156625985
• Molecular Formula: C64H41F2N3O2
• Molecular Weight: 928.08 g/mol
• Exact Mass: 927.35
• IUPAC Name: 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine
• SMILES: [2H]C([2H])([2H])c1cccc2c1oc1c(N(c3ccc(F)cc3)c3ccc4cc5c6ccc(N(c7ccc(F)cc7)c7cccc8c7oc7c(C([2H])([2H])[2H])cccc78)cc6n(-c6ccc7ccccc7c6)c5cc4c3)cccc12
• InChI: InChI=1S/C64H41F2N3O2/c1-38-9-5-13-52-54-15-7-17-57(63(54)70-61(38)52)67(46-27-21-44(65)22-28-46)48-26-20-42-35-56-51-32-31-50(37-60(51)69(59(56)36-43(42)34-48)49-25-19-40-11-3-4-12-41(40)33-49)68(47-29-23-45(66)24-30-47)58-18-8-16-55-53-14-6-10-39(2)62(53)71-64(55)58/h3-37H,1-2H3/i1D3,2D3
• InChIKey: BYHFUNNNRGMMHW-WFGJKAKNSA-N
• XLogP: 18.72
• TPSA: 37.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.08
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine?

The IUPAC name of 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine (CID 156625985) is 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine.

What is the SMILES notation for 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine?

The canonical SMILES for 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine is [2H]C([2H])([2H])c1cccc2c1oc1c(N(c3ccc(F)cc3)c3ccc4cc5c6ccc(N(c7ccc(F)cc7)c7cccc8c7oc7c(C([2H])([2H])[2H])cccc78)cc6n(-c6ccc7ccccc7c6)c5cc4c3)cccc12.

What is the InChIKey of 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine?

The InChIKey is BYHFUNNNRGMMHW-WFGJKAKNSA-N. The full InChI is InChI=1S/C64H41F2N3O2/c1-38-9-5-13-52-54-15-7-17-57(63(54)70-61(38)52)67(46-27-21-44(65)22-28-46)48-26-20-42-35-56-51-32-31-50(37-60(51)69(59(56)36-43(42)34-48)49-25-19-40-11-3-4-12-41(40)33-49)68(47-29-23-45(66)24-30-47)58-18-8-16-55-53-14-6-10-39(2)62(53)71-64(55)58/h3-37H,1-2H3/i1D3,2D3.

What are the key properties of 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine?

3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine has a molecular weight of 928.08 g/mol, XLogP of 18.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,8-N-bis(4-fluorophenyl)-5-naphthalen-2-yl-3-N,8-N-bis[6-(trideuteriomethyl)dibenzofuran-4-yl]benzo[b]carbazole-3,8-diamine is sourced from PubChem (CID 156625985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).