3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C58H51N — CID 170289908

IUPAC3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C58H51N/c1-57(2,3)44-37-45(58(4,5)6)39-46(38-44)59(53-35-15-13-29-49(53)51-33-19-27-42-25-17-31-47(55(42)51)40-21-9-7-10-22-40)54-36-16-14-30-50(54)52-34-20-28-43-26-18-32-48(56(43)52)41-23-11-8-12-24-41/h7-39H,1-6H3
InChIKeyDKMSSTRCAARNNB-UHFFFAOYSA-N
MW762.05 g/mol
LogP16.73
Rot. Bonds7

About 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170289908) has the molecular formula C58H51N and a molecular weight of 762.05 g/mol. Its IUPAC name is 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170289908
Molecular FormulaC58H51N
Molecular Weight762.05 g/mol
Exact Mass761.40
IUPAC Name3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C58H51N/c1-57(2,3)44-37-45(58(4,5)6)39-46(38-44)59(53-35-15-13-29-49(53)51-33-19-27-42-25-17-31-47(55(42)51)40-21-9-7-10-22-40)54-36-16-14-30-50(54)52-34-20-28-43-26-18-32-48(56(43)52)41-23-11-8-12-24-41/h7-39H,1-6H3
InChIKeyDKMSSTRCAARNNB-UHFFFAOYSA-N
XLogP16.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.05
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288575
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
CID 170288404
3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170295103
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304806
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 170288786
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
CID 170288774
N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170291586
3,5-ditert-butyl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291554
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
3,5-ditert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291584
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288884

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170289908) is 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC(C)(C)c1cc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is DKMSSTRCAARNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N/c1-57(2,3)44-37-45(58(4,5)6)39-46(38-44)59(53-35-15-13-29-49(53)51-33-19-27-42-25-17-31-47(55(42)51)40-21-9-7-10-22-40)54-36-16-14-30-50(54)52-34-20-28-43-26-18-32-48(56(43)52)41-23-11-8-12-24-41/h7-39H,1-6H3.
What are the key properties of 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 762.05 g/mol, XLogP of 16.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170289908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).