N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline

C66H43NO — CID 167331271

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)cc3)c2)cc1
InChIInChI=1S/C66H43NO/c1-3-15-44(16-4-1)51-39-52(45-17-5-2-6-18-45)41-53(40-51)46-29-34-54(35-30-46)67(55-36-31-48(32-37-55)63-43-50-20-8-9-23-57(50)60-25-11-12-26-61(60)63)56-22-13-21-49(42-56)58-27-14-28-64-65(58)62-38-33-47-19-7-10-24-59(47)66(62)68-64/h1-43H
InChIKeyMGYMPPUETFTMFA-UHFFFAOYSA-N
MW866.08 g/mol
LogP18.85
Rot. Bonds8

About N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline

N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline (PubChem CID 167331271) has the molecular formula C66H43NO and a molecular weight of 866.08 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
PubChem CID167331271
Molecular FormulaC66H43NO
Molecular Weight866.08 g/mol
Exact Mass865.33
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)cc3)c2)cc1
InChIInChI=1S/C66H43NO/c1-3-15-44(16-4-1)51-39-52(45-17-5-2-6-18-45)41-53(40-51)46-29-34-54(35-30-46)67(55-36-31-48(32-37-55)63-43-50-20-8-9-23-57(50)60-25-11-12-26-61(60)63)56-22-13-21-49(42-56)58-27-14-28-64-65(58)62-38-33-47-19-7-10-24-59(47)66(62)68-64/h1-43H
InChIKeyMGYMPPUETFTMFA-UHFFFAOYSA-N
XLogP18.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939002
N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166939667
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
CID 166939869
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 170272469
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine
CID 167330132
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 167330620
N-(3,5-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738007
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 166939006
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167329673

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline (CID 167331271) is N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The InChIKey is MGYMPPUETFTMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO/c1-3-15-44(16-4-1)51-39-52(45-17-5-2-6-18-45)41-53(40-51)46-29-34-54(35-30-46)67(55-36-31-48(32-37-55)63-43-50-20-8-9-23-57(50)60-25-11-12-26-61(60)63)56-22-13-21-49(42-56)58-27-14-28-64-65(58)62-38-33-47-19-7-10-24-59(47)66(62)68-64/h1-43H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline?
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline has a molecular weight of 866.08 g/mol, XLogP of 18.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline is sourced from PubChem (CID 167331271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).