N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

C58H45NO — CID 170304662

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C58H45NO/c1-3-19-40(20-4-1)44-25-7-8-26-46(44)47-27-9-10-28-48(47)49-29-11-14-34-54(49)59(43-37-38-52-51-31-13-16-36-56(51)60-57(52)39-43)55-35-15-12-30-50(55)53-33-18-24-42-23-17-32-45(58(42)53)41-21-5-2-6-22-41/h1,3-4,7-20,23-39,41H,2,5-6,21-22H2
InChIKeyYGIOEXQDWLLXII-UHFFFAOYSA-N
MW772.00 g/mol
LogP16.92
Rot. Bonds8

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 170304662) has the molecular formula C58H45NO and a molecular weight of 772.00 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID170304662
Molecular FormulaC58H45NO
Molecular Weight772.00 g/mol
Exact Mass771.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C58H45NO/c1-3-19-40(20-4-1)44-25-7-8-26-46(44)47-27-9-10-28-48(47)49-29-11-14-34-54(49)59(43-37-38-52-51-31-13-16-36-56(51)60-57(52)39-43)55-35-15-12-30-50(55)53-33-18-24-42-23-17-32-45(58(42)53)41-21-5-2-6-22-41/h1,3-4,7-20,23-39,41H,2,5-6,21-22H2
InChIKeyYGIOEXQDWLLXII-UHFFFAOYSA-N
XLogP16.92
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.00
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170295954
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]dibenzofuran-2-amine
CID 170295934
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 170300936
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
CID 170296019
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 170300824
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 170295425
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
CID 170300822
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine
CID 170300874
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(3-phenanthren-1-ylphenyl)aniline
CID 170300878
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
CID 170302819
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 170296362

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (CID 170304662) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is YGIOEXQDWLLXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45NO/c1-3-19-40(20-4-1)44-25-7-8-26-46(44)47-27-9-10-28-48(47)49-29-11-14-34-54(49)59(43-37-38-52-51-31-13-16-36-56(51)60-57(52)39-43)55-35-15-12-30-50(55)53-33-18-24-42-23-17-32-45(58(42)53)41-21-5-2-6-22-41/h1,3-4,7-20,23-39,41H,2,5-6,21-22H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 772.00 g/mol, XLogP of 16.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 170304662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).