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

C60H49N — CID 170292666

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C60H49N/c1-60(46-26-9-4-10-27-46)54-34-14-11-30-53(54)59-52(33-19-35-55(59)60)50-29-13-16-37-57(50)61(47-40-38-43(39-41-47)42-20-5-2-6-21-42)56-36-15-12-28-49(56)51-32-18-25-45-24-17-31-48(58(45)51)44-22-7-3-8-23-44/h2,4-6,9-21,24-41,44H,3,7-8,22-23H2,1H3
InChIKeyUMGPJNCJZVEMSU-UHFFFAOYSA-N
MW784.06 g/mol
LogP16.69
Rot. Bonds8

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline (PubChem CID 170292666) has the molecular formula C60H49N and a molecular weight of 784.06 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
PubChem CID170292666
Molecular FormulaC60H49N
Molecular Weight784.06 g/mol
Exact Mass783.39
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C60H49N/c1-60(46-26-9-4-10-27-46)54-34-14-11-30-53(54)59-52(33-19-35-55(59)60)50-29-13-16-37-57(50)61(47-40-38-43(39-41-47)42-20-5-2-6-21-42)56-36-15-12-28-49(56)51-32-18-25-45-24-17-31-48(58(45)51)44-22-7-3-8-23-44/h2,4-6,9-21,24-41,44H,3,7-8,22-23H2,1H3
InChIKeyUMGPJNCJZVEMSU-UHFFFAOYSA-N
XLogP16.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.06
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293124
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-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-4-amine
CID 170303842
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]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170292655
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302749
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170292723
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170303870
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304414
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]dibenzofuran-1-amine
CID 170302843
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170303669
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-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline (CID 170292666) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is UMGPJNCJZVEMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N/c1-60(46-26-9-4-10-27-46)54-34-14-11-30-53(54)59-52(33-19-35-55(59)60)50-29-13-16-37-57(50)61(47-40-38-43(39-41-47)42-20-5-2-6-21-42)56-36-15-12-28-49(56)51-32-18-25-45-24-17-31-48(58(45)51)44-22-7-3-8-23-44/h2,4-6,9-21,24-41,44H,3,7-8,22-23H2,1H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 784.06 g/mol, XLogP of 16.69, 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-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170292666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).