5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C54H43N — CID 170290061

IUPAC5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c1
InChIInChI=1S/C54H43N/c1-54(2,3)43-34-35-47(39-18-6-4-7-19-39)52(37-43)55(44-27-14-26-42(36-44)46-30-15-23-38-22-10-11-28-45(38)46)51-33-13-12-29-49(51)50-32-17-25-41-24-16-31-48(53(41)50)40-20-8-5-9-21-40/h4-37H,1-3H3
InChIKeyACDAMKBFVTUQOZ-UHFFFAOYSA-N
MW705.95 g/mol
LogP15.43
Rot. Bonds7

About 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170290061) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170290061
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC Name5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c1
InChIInChI=1S/C54H43N/c1-54(2,3)43-34-35-47(39-18-6-4-7-19-39)52(37-43)55(44-27-14-26-42(36-44)46-30-15-23-38-22-10-11-28-45(38)46)51-33-13-12-29-49(51)50-32-17-25-41-24-16-31-48(53(41)50)40-20-8-5-9-21-40/h4-37H,1-3H3
InChIKeyACDAMKBFVTUQOZ-UHFFFAOYSA-N
XLogP15.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290050
13-tert-butyl-N-(5-tert-butyl-2-phenylphenyl)-16,16-dimethyl-N-(3-naphthalen-1-ylphenyl)pentacyclo[15.2.2.12,6.111,15.010,23]tricosa-1(19),2,4,6(23),7,9,11(22),12,14,17,20-undecaen-19-amine
CID 170291324
N-(3-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 170296938
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-phenanthren-1-ylphenyl)-N-phenylaniline
CID 170290977
5-tert-butyl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290116
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170298333
N-(4-tert-butylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289912
N-(5-tert-butyl-2-phenylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170292168
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170290633
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
5-tert-butyl-N-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294602

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170290061) is 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC(C)(C)c1ccc(-c2ccccc2)c(N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c1.
What is the InChIKey of 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is ACDAMKBFVTUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-54(2,3)43-34-35-47(39-18-6-4-7-19-39)52(37-43)55(44-27-14-26-42(36-44)46-30-15-23-38-22-10-11-28-45(38)46)51-33-13-12-29-49(51)50-32-17-25-41-24-16-31-48(53(41)50)40-20-8-5-9-21-40/h4-37H,1-3H3.
What are the key properties of 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 705.95 g/mol, XLogP of 15.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170290061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).