N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine

C58H39NO — CID 167233976

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39NO/c1-4-15-42(16-5-1)51-33-28-47(37-54(51)44-19-8-3-9-20-44)41-26-30-49(31-27-41)59(50-32-35-58-55(39-50)53-22-12-13-23-57(53)60-58)56-38-48(29-34-52(56)43-17-6-2-7-18-43)46-25-24-40-14-10-11-21-45(40)36-46/h1-39H
InChIKeyBVAWEIGNGPGNNW-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine

N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 167233976) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
PubChem CID167233976
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39NO/c1-4-15-42(16-5-1)51-33-28-47(37-54(51)44-19-8-3-9-20-44)41-26-30-49(31-27-41)59(50-32-35-58-55(39-50)53-22-12-13-23-57(53)60-58)56-38-48(29-34-52(56)43-17-6-2-7-18-43)46-25-24-40-14-10-11-21-45(40)36-46/h1-39H
InChIKeyBVAWEIGNGPGNNW-UHFFFAOYSA-N
XLogP16.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176630547
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918
N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 176587466
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234579
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
1-(2,4-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281004
N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235123
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine (CID 167233976) is N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is BVAWEIGNGPGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-15-42(16-5-1)51-33-28-47(37-54(51)44-19-8-3-9-20-44)41-26-30-49(31-27-41)59(50-32-35-58-55(39-50)53-22-12-13-23-57(53)60-58)56-38-48(29-34-52(56)43-17-6-2-7-18-43)46-25-24-40-14-10-11-21-45(40)36-46/h1-39H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine?
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 765.96 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 167233976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).