N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine

C55H45NS — CID 170302861

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C55H45NS/c1-55(2)47-30-9-6-25-46(47)53-48(55)31-16-33-50(53)56(39-22-12-21-38(35-39)41-27-15-29-45-43-24-8-11-34-51(43)57-54(41)45)49-32-10-7-23-42(49)44-28-14-20-37-19-13-26-40(52(37)44)36-17-4-3-5-18-36/h6-16,19-36H,3-5,17-18H2,1-2H3
InChIKeyDWYZQHLDRGCVAG-UHFFFAOYSA-N
MW752.04 g/mol
LogP16.37
Rot. Bonds6

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine (PubChem CID 170302861) has the molecular formula C55H45NS and a molecular weight of 752.04 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine
PubChem CID170302861
Molecular FormulaC55H45NS
Molecular Weight752.04 g/mol
Exact Mass751.33
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C55H45NS/c1-55(2)47-30-9-6-25-46(47)53-48(55)31-16-33-50(53)56(39-22-12-21-38(35-39)41-27-15-29-45-43-24-8-11-34-51(43)57-54(41)45)49-32-10-7-23-42(49)44-28-14-20-37-19-13-26-40(52(37)44)36-17-4-3-5-18-36/h6-16,19-36H,3-5,17-18H2,1-2H3
InChIKeyDWYZQHLDRGCVAG-UHFFFAOYSA-N
XLogP16.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.04
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine with MolForge

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Related Compounds

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-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine
CID 164774602
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302928
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-2-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)aniline
CID 170300719
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299237
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304503
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299234
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170295842
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-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine
CID 170303584
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine (CID 170302861) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine?
The InChIKey is DWYZQHLDRGCVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NS/c1-55(2)47-30-9-6-25-46(47)53-48(55)31-16-33-50(53)56(39-22-12-21-38(35-39)41-27-15-29-45-43-24-8-11-34-51(43)57-54(41)45)49-32-10-7-23-42(49)44-28-14-20-37-19-13-26-40(52(37)44)36-17-4-3-5-18-36/h6-16,19-36H,3-5,17-18H2,1-2H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine has a molecular weight of 752.04 g/mol, XLogP of 16.37, 6 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-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 170302861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).