N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine

C55H36FNO — CID 129130329

IUPACN-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine
SMILESFc1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H36FNO/c56-42-30-32-43(33-31-42)57(49-34-29-39(37-17-5-1-6-18-37)35-46(49)38-19-7-2-8-20-38)50-36-48-52(54-53(50)45-26-14-16-28-51(45)58-54)44-25-13-15-27-47(44)55(48,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-36H
InChIKeyWQBVVEOHDDZCLJ-UHFFFAOYSA-N
MW745.90 g/mol
LogP14.89
Rot. Bonds7

About N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine

N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine (PubChem CID 129130329) has the molecular formula C55H36FNO and a molecular weight of 745.90 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine
PubChem CID129130329
Molecular FormulaC55H36FNO
Molecular Weight745.90 g/mol
Exact Mass745.28
IUPAC NameN-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine
SMILESFc1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H36FNO/c56-42-30-32-43(33-31-42)57(49-34-29-39(37-17-5-1-6-18-37)35-46(49)38-19-7-2-8-20-38)50-36-48-52(54-53(50)45-26-14-16-28-51(45)58-54)44-25-13-15-27-47(44)55(48,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-36H
InChIKeyWQBVVEOHDDZCLJ-UHFFFAOYSA-N
XLogP14.89
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.90
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine (CID 129130329) is N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine is Fc1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine?
The InChIKey is WQBVVEOHDDZCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36FNO/c56-42-30-32-43(33-31-42)57(49-34-29-39(37-17-5-1-6-18-37)35-46(49)38-19-7-2-8-20-38)50-36-48-52(54-53(50)45-26-14-16-28-51(45)58-54)44-25-13-15-27-47(44)55(48,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-36H.
What are the key properties of N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine?
N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine has a molecular weight of 745.90 g/mol, XLogP of 14.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-N-(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5-amine is sourced from PubChem (CID 129130329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).