N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine

C60H47NS — CID 170302928

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3-c3cccc4c3sc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C60H47NS/c1-60(42-24-6-3-7-25-42)51-34-12-8-29-50(51)58-52(60)35-19-38-55(58)61(54-37-14-10-27-45(54)48-32-18-33-49-46-28-11-15-39-56(46)62-59(48)49)53-36-13-9-26-44(53)47-31-17-23-41-22-16-30-43(57(41)47)40-20-4-2-5-21-40/h3,6-19,22-40H,2,4-5,20-21H2,1H3
InChIKeyYTFADUGEHJHKPX-UHFFFAOYSA-N
MW814.11 g/mol
LogP17.39
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine (PubChem CID 170302928) has the molecular formula C60H47NS and a molecular weight of 814.11 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
PubChem CID170302928
Molecular FormulaC60H47NS
Molecular Weight814.11 g/mol
Exact Mass813.34
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3-c3cccc4c3sc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C60H47NS/c1-60(42-24-6-3-7-25-42)51-34-12-8-29-50(51)58-52(60)35-19-38-55(58)61(54-37-14-10-27-45(54)48-32-18-33-49-46-28-11-15-39-56(46)62-59(48)49)53-36-13-9-26-44(53)47-31-17-23-41-22-16-30-43(57(41)47)40-20-4-2-5-21-40/h3,6-19,22-40H,2,4-5,20-21H2,1H3
InChIKeyYTFADUGEHJHKPX-UHFFFAOYSA-N
XLogP17.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.11
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]dibenzofuran-1-amine
CID 170302843
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 170304636
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 170302861
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 170302761
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
CID 170292666
N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine
CID 164774602
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170302927
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
CID 170299224
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]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302749

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine (CID 170302928) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3-c3cccc4c3sc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
The InChIKey is YTFADUGEHJHKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47NS/c1-60(42-24-6-3-7-25-42)51-34-12-8-29-50(51)58-52(60)35-19-38-55(58)61(54-37-14-10-27-45(54)48-32-18-33-49-46-28-11-15-39-56(46)62-59(48)49)53-36-13-9-26-44(53)47-31-17-23-41-22-16-30-43(57(41)47)40-20-4-2-5-21-40/h3,6-19,22-40H,2,4-5,20-21H2,1H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine has a molecular weight of 814.11 g/mol, XLogP of 17.39, 7 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-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine is sourced from PubChem (CID 170302928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).