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

C61H51N — CID 170293124

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C61H51N/c1-61(2)55-30-12-9-26-54(55)60-53(29-17-31-56(60)61)51-25-11-14-33-58(51)62(48-40-38-45(39-41-48)44-36-34-43(35-37-44)42-18-5-3-6-19-42)57-32-13-10-24-50(57)52-28-16-23-47-22-15-27-49(59(47)52)46-20-7-4-8-21-46/h3,5-6,9-19,22-41,46H,4,7-8,20-21H2,1-2H3
InChIKeyRZGLRJLXTXZJMG-UHFFFAOYSA-N
MW798.09 g/mol
LogP17.33
Rot. Bonds8

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170293124) has the molecular formula C61H51N and a molecular weight of 798.09 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID170293124
Molecular FormulaC61H51N
Molecular Weight798.09 g/mol
Exact Mass797.40
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C61H51N/c1-61(2)55-30-12-9-26-54(55)60-53(29-17-31-56(60)61)51-25-11-14-33-58(51)62(48-40-38-45(39-41-48)44-36-34-43(35-37-44)42-18-5-3-6-19-42)57-32-13-10-24-50(57)52-28-16-23-47-22-15-27-49(59(47)52)46-20-7-4-8-21-46/h3,5-6,9-19,22-41,46H,4,7-8,20-21H2,1-2H3
InChIKeyRZGLRJLXTXZJMG-UHFFFAOYSA-N
XLogP17.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.09
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)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]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170303741
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
CID 170292666
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-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline
CID 170292985
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-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
CID 170302893
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170292655
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170303846
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302878
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293079
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304646

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170293124) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is RZGLRJLXTXZJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H51N/c1-61(2)55-30-12-9-26-54(55)60-53(29-17-31-56(60)61)51-25-11-14-33-58(51)62(48-40-38-45(39-41-48)44-36-34-43(35-37-44)42-18-5-3-6-19-42)57-32-13-10-24-50(57)52-28-16-23-47-22-15-27-49(59(47)52)46-20-7-4-8-21-46/h3,5-6,9-19,22-41,46H,4,7-8,20-21H2,1-2H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 798.09 g/mol, XLogP of 17.33, 8 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-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170293124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).