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

C61H49NS — CID 170302927

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c3)c21
InChIInChI=1S/C61H49NS/c1-61(2)54-35-10-6-25-46(54)51-32-17-30-45(59(51)61)42-23-14-24-43(39-42)62(56-37-12-8-27-48(56)52-33-18-34-53-49-28-9-13-38-57(49)63-60(52)53)55-36-11-7-26-47(55)50-31-16-22-41-21-15-29-44(58(41)50)40-19-4-3-5-20-40/h6-18,21-40H,3-5,19-20H2,1-2H3
InChIKeyZEGZHXVZRBQQFI-UHFFFAOYSA-N
MW828.14 g/mol
LogP18.03
Rot. Bonds7

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

2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline (PubChem CID 170302927) has the molecular formula C61H49NS and a molecular weight of 828.14 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
PubChem CID170302927
Molecular FormulaC61H49NS
Molecular Weight828.14 g/mol
Exact Mass827.36
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c3)c21
InChIInChI=1S/C61H49NS/c1-61(2)54-35-10-6-25-46(54)51-32-17-30-45(59(51)61)42-23-14-24-43(39-42)62(56-37-12-8-27-48(56)52-33-18-34-53-49-28-9-13-38-57(49)63-60(52)53)55-36-11-7-26-47(55)50-31-16-22-41-21-15-29-44(58(41)50)40-19-4-3-5-20-40/h6-18,21-40H,3-5,19-20H2,1-2H3
InChIKeyZEGZHXVZRBQQFI-UHFFFAOYSA-N
XLogP18.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.14
LogP ≤ 518.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 170302861
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-2-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)aniline
CID 170300719
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299234
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]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
CID 170300822
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
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-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170303846
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170295842

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline (CID 170302927) is 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c3)c21.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The InChIKey is ZEGZHXVZRBQQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49NS/c1-61(2)54-35-10-6-25-46(54)51-32-17-30-45(59(51)61)42-23-14-24-43(39-42)62(56-37-12-8-27-48(56)52-33-18-34-53-49-28-9-13-38-57(49)63-60(52)53)55-36-11-7-26-47(55)50-31-16-22-41-21-15-29-44(58(41)50)40-19-4-3-5-20-40/h6-18,21-40H,3-5,19-20H2,1-2H3.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline has a molecular weight of 828.14 g/mol, XLogP of 18.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline is sourced from PubChem (CID 170302927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).