N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine

C55H50N2O — CID 168810513

About N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine

N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine (PubChem CID 168810513) has the molecular formula C55H50N2O and a molecular weight of 755.02 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine
• PubChem CID: 168810513
• Molecular Formula: C55H50N2O
• Molecular Weight: 755.02 g/mol
• Exact Mass: 754.39
• IUPAC Name: N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5cccc6oc7ccccc7c56)cc4)CC4CCC3C4)cc2)cc1
• InChI: InChI=1S/C55H50N2O/c1-4-13-40(14-5-1)41-24-31-48(32-25-41)57(51-20-12-22-53-54(51)50-19-10-11-21-52(50)58-53)49-35-29-43(30-36-49)55(38-39-23-26-44(55)37-39)42-27-33-47(34-28-42)56(45-15-6-2-7-16-45)46-17-8-3-9-18-46/h2-3,6-12,15-22,24-25,27-36,39-40,44H,1,4-5,13-14,23,26,37-38H2
• InChIKey: MGGMGOOPWQHYON-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.02
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine?

The IUPAC name of N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine (CID 168810513) is N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine.

What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine?

The canonical SMILES for N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine is c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5cccc6oc7ccccc7c56)cc4)CC4CCC3C4)cc2)cc1.

What is the InChIKey of N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine?

The InChIKey is MGGMGOOPWQHYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50N2O/c1-4-13-40(14-5-1)41-24-31-48(32-25-41)57(51-20-12-22-53-54(51)50-19-10-11-21-52(50)58-53)49-35-29-43(30-36-49)55(38-39-23-26-44(55)37-39)42-27-33-47(34-28-42)56(45-15-6-2-7-16-45)46-17-8-3-9-18-46/h2-3,6-12,15-22,24-25,27-36,39-40,44H,1,4-5,13-14,23,26,37-38H2.

What are the key properties of N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine?

N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine has a molecular weight of 755.02 g/mol, XLogP of 15.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 168810513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).