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

C53H43NS — CID 164774602

IUPACN-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3-c3cccc4cccc(C5CCCCC5)c34)c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C53H43NS/c1-53(2)43-27-10-8-23-41(43)51-44(53)28-15-29-45(51)54(47-30-14-25-40-39-22-9-11-31-48(39)55-52(40)47)46-33-32-35-18-6-7-21-38(35)50(46)42-26-13-20-36-19-12-24-37(49(36)42)34-16-4-3-5-17-34/h6-15,18-34H,3-5,16-17H2,1-2H3
InChIKeySCWPTGHZYRWFQG-UHFFFAOYSA-N
MW726.00 g/mol
LogP15.85
Rot. Bonds5

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

N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine (PubChem CID 164774602) has the molecular formula C53H43NS and a molecular weight of 726.00 g/mol. Its IUPAC name is N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine
PubChem CID164774602
Molecular FormulaC53H43NS
Molecular Weight726.00 g/mol
Exact Mass725.31
IUPAC NameN-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3-c3cccc4cccc(C5CCCCC5)c34)c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C53H43NS/c1-53(2)43-27-10-8-23-41(43)51-44(53)28-15-29-45(51)54(47-30-14-25-40-39-22-9-11-31-48(39)55-52(40)47)46-33-32-35-18-6-7-21-38(35)50(46)42-26-13-20-36-19-12-24-37(49(36)42)34-16-4-3-5-17-34/h6-15,18-34H,3-5,16-17H2,1-2H3
InChIKeySCWPTGHZYRWFQG-UHFFFAOYSA-N
XLogP15.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.00
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
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-(2-naphthalen-1-ylphenyl)aniline
CID 170303604
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-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 170304636
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170295830
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170302927
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113932
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170303741

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine?
The IUPAC name of N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine (CID 164774602) is N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3-c3cccc4cccc(C5CCCCC5)c34)c3cccc4c3sc3ccccc34)cccc21.
What is the InChIKey of N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine?
The InChIKey is SCWPTGHZYRWFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43NS/c1-53(2)43-27-10-8-23-41(43)51-44(53)28-15-29-45(51)54(47-30-14-25-40-39-22-9-11-31-48(39)55-52(40)47)46-33-32-35-18-6-7-21-38(35)50(46)42-26-13-20-36-19-12-24-37(49(36)42)34-16-4-3-5-17-34/h6-15,18-34H,3-5,16-17H2,1-2H3.
What are the key properties of N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine?
N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine has a molecular weight of 726.00 g/mol, XLogP of 15.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 164774602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).