N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline

C57H51N — CID 170304684

IUPACN-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C57H51N/c1-56(2,3)42-35-37-45(38-36-42)58(54-34-15-12-29-50(54)51-31-17-22-41-21-16-30-47(55(41)51)40-19-6-4-7-20-40)46-26-18-25-44(39-46)57(43-23-8-5-9-24-43)52-32-13-10-27-48(52)49-28-11-14-33-53(49)57/h5,8-18,21-40H,4,6-7,19-20H2,1-3H3
InChIKeyRFXQHFQKASFCJE-UHFFFAOYSA-N
MW750.04 g/mol
LogP15.68
Rot. Bonds7

About N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline

N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 170304684) has the molecular formula C57H51N and a molecular weight of 750.04 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID170304684
Molecular FormulaC57H51N
Molecular Weight750.04 g/mol
Exact Mass749.40
IUPAC NameN-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C57H51N/c1-56(2,3)42-35-37-45(38-36-42)58(54-34-15-12-29-50(54)51-31-17-22-41-21-16-30-47(55(41)51)40-19-6-4-7-20-40)46-26-18-25-44(39-46)57(43-23-8-5-9-24-43)52-32-13-10-27-48(52)49-28-11-14-33-53(49)57/h5,8-18,21-40H,4,6-7,19-20H2,1-3H3
InChIKeyRFXQHFQKASFCJE-UHFFFAOYSA-N
XLogP15.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.04
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304685
2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline
CID 170293343
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170303690
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-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170303870
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170303868
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
CID 170289420
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170304430
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-4-amine
CID 170303842
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170295795
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 170303755
2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
CID 170289729

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline (CID 170304684) is N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline is CC(C)(C)c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is RFXQHFQKASFCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51N/c1-56(2,3)42-35-37-45(38-36-42)58(54-34-15-12-29-50(54)51-31-17-22-41-21-16-30-47(55(41)51)40-19-6-4-7-20-40)46-26-18-25-44(39-46)57(43-23-8-5-9-24-43)52-32-13-10-27-48(52)49-28-11-14-33-53(49)57/h5,8-18,21-40H,4,6-7,19-20H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 750.04 g/mol, XLogP of 15.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 170304684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).