5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline

C44H43N — CID 170289420

IUPAC5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(N(c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C44H43N/c1-44(2,3)35-29-30-37(32-17-7-4-8-18-32)42(31-35)45(36-23-11-6-12-24-36)41-28-14-13-25-39(41)40-27-16-22-34-21-15-26-38(43(34)40)33-19-9-5-10-20-33/h4,6-8,11-18,21-31,33H,5,9-10,19-20H2,1-3H3
InChIKeyJFQFTYTYCCCNLK-UHFFFAOYSA-N
MW585.84 g/mol
LogP12.99
Rot. Bonds6

About 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline

5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline (PubChem CID 170289420) has the molecular formula C44H43N and a molecular weight of 585.84 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
PubChem CID170289420
Molecular FormulaC44H43N
Molecular Weight585.84 g/mol
Exact Mass585.34
IUPAC Name5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(N(c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C44H43N/c1-44(2,3)35-29-30-37(32-17-7-4-8-18-32)42(31-35)45(36-23-11-6-12-24-36)41-28-14-13-25-39(41)40-27-16-22-34-21-15-26-38(43(34)40)33-19-9-5-10-20-33/h4,6-8,11-18,21-31,33H,5,9-10,19-20H2,1-3H3
InChIKeyJFQFTYTYCCCNLK-UHFFFAOYSA-N
XLogP12.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.84
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304646
2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
CID 170289729
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170290633
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline
CID 170289431
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297549
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 170295425
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170295795
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170295842
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
CID 170295801
N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170295839
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170297632
2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline
CID 170293343

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline?
The IUPAC name of 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline (CID 170289420) is 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline.
What is the SMILES notation for 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline?
The canonical SMILES for 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline is CC(C)(C)c1ccc(-c2ccccc2)c(N(c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1.
What is the InChIKey of 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline?
The InChIKey is JFQFTYTYCCCNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N/c1-44(2,3)35-29-30-37(32-17-7-4-8-18-32)42(31-35)45(36-23-11-6-12-24-36)41-28-14-13-25-39(41)40-27-16-22-34-21-15-26-38(43(34)40)33-19-9-5-10-20-33/h4,6-8,11-18,21-31,33H,5,9-10,19-20H2,1-3H3.
What are the key properties of 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline?
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline has a molecular weight of 585.84 g/mol, XLogP of 12.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 170289420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).