N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline

C51H50N2 — CID 59203915

IUPACN-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline
SMILESCCCCc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(CCC)cc5)c5ccccc5C)cc4)cc3)cc2)c2ccccc2C)cc1
InChIInChI=1S/C51H50N2/c1-5-7-15-41-20-32-47(33-21-41)53(51-17-11-9-14-39(51)4)49-36-28-45(29-37-49)43-24-22-42(23-25-43)44-26-34-48(35-27-44)52(50-16-10-8-13-38(50)3)46-30-18-40(12-6-2)19-31-46/h8-11,13-14,16-37H,5-7,12,15H2,1-4H3
InChIKeyUVJNQPLAFLXMAR-UHFFFAOYSA-N
MW690.98 g/mol
LogP14.87
Rot. Bonds13

About N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline

N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline (PubChem CID 59203915) has the molecular formula C51H50N2 and a molecular weight of 690.98 g/mol. Its IUPAC name is N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline
PubChem CID59203915
Molecular FormulaC51H50N2
Molecular Weight690.98 g/mol
Exact Mass690.40
IUPAC NameN-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline
SMILESCCCCc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(CCC)cc5)c5ccccc5C)cc4)cc3)cc2)c2ccccc2C)cc1
InChIInChI=1S/C51H50N2/c1-5-7-15-41-20-32-47(33-21-41)53(51-17-11-9-14-39(51)4)49-36-28-45(29-37-49)43-24-22-42(23-25-43)44-26-34-48(35-27-44)52(50-16-10-8-13-38(50)3)46-30-18-40(12-6-2)19-31-46/h8-11,13-14,16-37H,5-7,12,15H2,1-4H3
InChIKeyUVJNQPLAFLXMAR-UHFFFAOYSA-N
XLogP14.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.98
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline with MolForge

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Related Compounds

N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
1-N,1-N,3-N,3-N-tetrakis(4-butylphenyl)-2-chlorobenzene-1,3-diamine
CID 139341417
1-butyl-4-phenylbenzene;ethane
CID 143743409
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
CID 88559543
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline?
The IUPAC name of N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline (CID 59203915) is N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline?
The canonical SMILES for N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline is CCCCc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(CCC)cc5)c5ccccc5C)cc4)cc3)cc2)c2ccccc2C)cc1.
What is the InChIKey of N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline?
The InChIKey is UVJNQPLAFLXMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50N2/c1-5-7-15-41-20-32-47(33-21-41)53(51-17-11-9-14-39(51)4)49-36-28-45(29-37-49)43-24-22-42(23-25-43)44-26-34-48(35-27-44)52(50-16-10-8-13-38(50)3)46-30-18-40(12-6-2)19-31-46/h8-11,13-14,16-37H,5-7,12,15H2,1-4H3.
What are the key properties of N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline?
N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline has a molecular weight of 690.98 g/mol, XLogP of 14.87, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline is sourced from PubChem (CID 59203915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).