N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline

C59H49N — CID 170303604

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C59H49N/c1-59(2)52-35-12-8-30-51(52)58-50(34-19-36-53(58)59)48-29-11-15-39-56(48)60(54-37-13-9-27-46(54)45-32-16-23-40-22-6-7-26-43(40)45)55-38-14-10-28-47(55)49-33-18-25-42-24-17-31-44(57(42)49)41-20-4-3-5-21-41/h6-19,22-39,41H,3-5,20-21H2,1-2H3
InChIKeyWJOIEHANCJQGON-UHFFFAOYSA-N
MW772.05 g/mol
LogP16.82
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline (PubChem CID 170303604) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline
PubChem CID170303604
Molecular FormulaC59H49N
Molecular Weight772.05 g/mol
Exact Mass771.39
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C59H49N/c1-59(2)52-35-12-8-30-51(52)58-50(34-19-36-53(58)59)48-29-11-15-39-56(48)60(54-37-13-9-27-46(54)45-32-16-23-40-22-6-7-26-43(40)45)55-38-14-10-28-47(55)49-33-18-25-42-24-17-31-44(57(42)49)41-20-4-3-5-21-41/h6-19,22-39,41H,3-5,20-21H2,1-2H3
InChIKeyWJOIEHANCJQGON-UHFFFAOYSA-N
XLogP16.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.05
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine
CID 170303584
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170303741
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
CID 170302903
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293124
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170303000
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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
CID 170302893
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]-2-dibenzofuran-1-yl-N-(2-naphthalen-1-ylphenyl)aniline
CID 170300934
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170303868
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302878

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline (CID 170303604) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline?
The InChIKey is WJOIEHANCJQGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-59(2)52-35-12-8-30-51(52)58-50(34-19-36-53(58)59)48-29-11-15-39-56(48)60(54-37-13-9-27-46(54)45-32-16-23-40-22-6-7-26-43(40)45)55-38-14-10-28-47(55)49-33-18-25-42-24-17-31-44(57(42)49)41-20-4-3-5-21-41/h6-19,22-39,41H,3-5,20-21H2,1-2H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline has a molecular weight of 772.05 g/mol, XLogP of 16.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170303604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).