5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine

C89H56F2N2O2 — CID 90139883

About 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine

5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine (PubChem CID 90139883) has the molecular formula C89H56F2N2O2 and a molecular weight of 1223.43 g/mol. Its IUPAC name is 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
• PubChem CID: 90139883
• Molecular Formula: C89H56F2N2O2
• Molecular Weight: 1223.43 g/mol
• Exact Mass: 1222.43
• IUPAC Name: 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
• SMILES: Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)c3ccccc3c1-2)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C89H56F2N2O2/c90-77-53-61(57-27-7-1-8-28-57)51-73(59-31-11-3-12-32-59)85(77)92(79-45-25-43-70-67-40-21-23-47-82(67)94-87(70)79)65-49-50-72-75(55-65)89(63-35-15-5-16-36-63,64-37-17-6-18-38-64)76-56-81(66-39-19-20-42-69(66)84(72)76)93(80-46-26-44-71-68-41-22-24-48-83(68)95-88(71)80)86-74(60-33-13-4-14-34-60)52-62(54-78(86)91)58-29-9-2-10-30-58/h1-56H
• InChIKey: GDMUVTSUWOVXCK-UHFFFAOYSA-N
• XLogP: 24.89
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1223.43
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?

The IUPAC name of 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine (CID 90139883) is 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine.

What is the SMILES notation for 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?

The canonical SMILES for 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)c3ccccc3c1-2)c1cccc2c1oc1ccccc12.

What is the InChIKey of 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?

The InChIKey is GDMUVTSUWOVXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H56F2N2O2/c90-77-53-61(57-27-7-1-8-28-57)51-73(59-31-11-3-12-32-59)85(77)92(79-45-25-43-70-67-40-21-23-47-82(67)94-87(70)79)65-49-50-72-75(55-65)89(63-35-15-5-16-36-63,64-37-17-6-18-38-64)76-56-81(66-39-19-20-42-69(66)84(72)76)93(80-46-26-44-71-68-41-22-24-48-83(68)95-88(71)80)86-74(60-33-13-4-14-34-60)52-62(54-78(86)91)58-29-9-2-10-30-58/h1-56H.

What are the key properties of 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?

5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine has a molecular weight of 1223.43 g/mol, XLogP of 24.89, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 90139883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).