N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline

C58H45NO — CID 170296019

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H45NO/c1-4-18-40(19-5-1)44-35-37-55(52(38-44)42-22-8-3-9-23-42)59(53-31-13-10-26-46(53)45-34-36-50-49-28-12-15-33-56(49)60-57(50)39-45)54-32-14-11-27-48(54)51-30-17-25-43-24-16-29-47(58(43)51)41-20-6-2-7-21-41/h1,3-5,8-19,22-39,41H,2,6-7,20-21H2
InChIKeyHTCAUEZWLPKNLD-UHFFFAOYSA-N
MW772.00 g/mol
LogP16.92
Rot. Bonds8

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline (PubChem CID 170296019) 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-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
PubChem CID170296019
Molecular FormulaC58H45NO
Molecular Weight772.00 g/mol
Exact Mass771.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H45NO/c1-4-18-40(19-5-1)44-35-37-55(52(38-44)42-22-8-3-9-23-42)59(53-31-13-10-26-46(53)45-34-36-50-49-28-12-15-33-56(49)60-57(50)39-45)54-32-14-11-27-48(54)51-30-17-25-43-24-16-29-47(58(43)51)41-20-6-2-7-21-41/h1,3-5,8-19,22-39,41H,2,6-7,20-21H2
InChIKeyHTCAUEZWLPKNLD-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]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline
CID 170300987
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
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-[4-(3,4-diphenylphenyl)phenyl]dibenzofuran-2-amine
CID 170295934
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
CID 170299296
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302741
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300542
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 170296362
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300578
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-phenanthren-1-ylphenyl)aniline
CID 170300881
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 170300560

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline (CID 170296019) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline?
The InChIKey is HTCAUEZWLPKNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45NO/c1-4-18-40(19-5-1)44-35-37-55(52(38-44)42-22-8-3-9-23-42)59(53-31-13-10-26-46(53)45-34-36-50-49-28-12-15-33-56(49)60-57(50)39-45)54-32-14-11-27-48(54)51-30-17-25-43-24-16-29-47(58(43)51)41-20-6-2-7-21-41/h1,3-5,8-19,22-39,41H,2,6-7,20-21H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline 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-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline is sourced from PubChem (CID 170296019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).