4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline

C64H57N — CID 170292723

IUPAC4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2cccc3c2-c2ccccc2C3(C)c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C64H57N/c1-63(2,3)48-41-42-60(55(43-48)45-25-10-6-11-26-45)65(58-39-18-15-31-50(58)52-35-21-28-46-27-20-34-49(61(46)52)44-23-8-5-9-24-44)59-40-19-16-32-51(59)53-36-22-38-57-62(53)54-33-14-17-37-56(54)64(57,4)47-29-12-7-13-30-47/h6-7,10-22,25-44H,5,8-9,23-24H2,1-4H3
InChIKeyUICRHQZYCWQBQS-UHFFFAOYSA-N
MW840.17 g/mol
LogP17.99
Rot. Bonds8

About 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline

4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline (PubChem CID 170292723) has the molecular formula C64H57N and a molecular weight of 840.17 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline
PubChem CID170292723
Molecular FormulaC64H57N
Molecular Weight840.17 g/mol
Exact Mass839.45
IUPAC Name4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2cccc3c2-c2ccccc2C3(C)c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C64H57N/c1-63(2,3)48-41-42-60(55(43-48)45-25-10-6-11-26-45)65(58-39-18-15-31-50(58)52-35-21-28-46-27-20-34-49(61(46)52)44-23-8-5-9-24-44)59-40-19-16-32-51(59)53-36-22-38-57-62(53)54-33-14-17-37-56(54)64(57,4)47-29-12-7-13-30-47/h6-7,10-22,25-44H,5,8-9,23-24H2,1-4H3
InChIKeyUICRHQZYCWQBQS-UHFFFAOYSA-N
XLogP17.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.17
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline
CID 170292483
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
CID 170292666
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]dibenzofuran-1-amine
CID 170302843
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293079
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170303870
2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
CID 170289729
2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline
CID 170293343
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
CID 170289420
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170303868
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-4-amine
CID 170303842
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302928
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293124

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline?
The IUPAC name of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline (CID 170292723) is 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline.
What is the SMILES notation for 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline?
The canonical SMILES for 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline is CC(C)(C)c1ccc(N(c2ccccc2-c2cccc3c2-c2ccccc2C3(C)c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline?
The InChIKey is UICRHQZYCWQBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H57N/c1-63(2,3)48-41-42-60(55(43-48)45-25-10-6-11-26-45)65(58-39-18-15-31-50(58)52-35-21-28-46-27-20-34-49(61(46)52)44-23-8-5-9-24-44)59-40-19-16-32-51(59)53-36-22-38-57-62(53)54-33-14-17-37-56(54)64(57,4)47-29-12-7-13-30-47/h6-7,10-22,25-44H,5,8-9,23-24H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline?
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline has a molecular weight of 840.17 g/mol, XLogP of 17.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline is sourced from PubChem (CID 170292723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).