3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol

C38H39NO — CID 166662023

IUPAC3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol
SMILESCCCCc1ccc(-c2ccccc2N(c2cccc(O)c2)c2ccccc2-c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C38H39NO/c1-3-5-12-29-20-24-31(25-21-29)35-16-7-9-18-37(35)39(33-14-11-15-34(40)28-33)38-19-10-8-17-36(38)32-26-22-30(23-27-32)13-6-4-2/h7-11,14-28,40H,3-6,12-13H2,1-2H3
InChIKeyLATCAVKVWKJXSJ-UHFFFAOYSA-N
MW525.74 g/mol
LogP10.88
Rot. Bonds11

About 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol

3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol (PubChem CID 166662023) has the molecular formula C38H39NO and a molecular weight of 525.74 g/mol. Its IUPAC name is 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol.

Molecular Properties

Compound Name3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol
PubChem CID166662023
Molecular FormulaC38H39NO
Molecular Weight525.74 g/mol
Exact Mass525.30
IUPAC Name3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol
SMILESCCCCc1ccc(-c2ccccc2N(c2cccc(O)c2)c2ccccc2-c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C38H39NO/c1-3-5-12-29-20-24-31(25-21-29)35-16-7-9-18-37(35)39(33-14-11-15-34(40)28-33)38-19-10-8-17-36(38)32-26-22-30(23-27-32)13-6-4-2/h7-11,14-28,40H,3-6,12-13H2,1-2H3
InChIKeyLATCAVKVWKJXSJ-UHFFFAOYSA-N
XLogP10.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.74
LogP ≤ 510.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline
CID 141426227
N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline
CID 59203915
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
1-butyl-4-methylbenzene;phenol
CID 174834955
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
5-butyl-3-N-[4-butyl-2-(4-butylphenyl)phenyl]-1-N,1-N,3-N-tris(4-butylphenyl)-2-chlorobenzene-1,3-diamine
CID 166928658
3-(4-pentylphenyl)benzene-1,2-diol
CID 70366115
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
1-(2-butylphenyl)-3-(4-butylphenyl)-2-methylbenzene
CID 156826942

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol?
The IUPAC name of 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol (CID 166662023) is 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol.
What is the SMILES notation for 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol?
The canonical SMILES for 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol is CCCCc1ccc(-c2ccccc2N(c2cccc(O)c2)c2ccccc2-c2ccc(CCCC)cc2)cc1.
What is the InChIKey of 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol?
The InChIKey is LATCAVKVWKJXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39NO/c1-3-5-12-29-20-24-31(25-21-29)35-16-7-9-18-37(35)39(33-14-11-15-34(40)28-33)38-19-10-8-17-36(38)32-26-22-30(23-27-32)13-6-4-2/h7-11,14-28,40H,3-6,12-13H2,1-2H3.
What are the key properties of 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol?
3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol has a molecular weight of 525.74 g/mol, XLogP of 10.88, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol is sourced from PubChem (CID 166662023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).