N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline

C25H29N — CID 88869874

IUPACN-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline
SMILESCc1cccc(C)c1N(c1ccccc1)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C25H29N/c1-16-12-11-13-17(2)24(16)26(23-14-9-8-10-15-23)25-21(6)19(4)18(3)20(5)22(25)7/h8-15H,1-7H3
InChIKeyCHMRYWYHCAPJKI-UHFFFAOYSA-N
MW343.51 g/mol
LogP7.32
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline

N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline (PubChem CID 88869874) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline
PubChem CID88869874
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC NameN-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline
SMILESCc1cccc(C)c1N(c1ccccc1)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C25H29N/c1-16-12-11-13-17(2)24(16)26(23-14-9-8-10-15-23)25-21(6)19(4)18(3)20(5)22(25)7/h8-15H,1-7H3
InChIKeyCHMRYWYHCAPJKI-UHFFFAOYSA-N
XLogP7.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,6-dimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-phenylaniline
CID 11354736
1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine
CID 59303959
2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 20720491
acetaldehyde;ethane;ethylbenzene;2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)-N-phenylaniline
CID 91294454
ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 91289022
2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline
CID 118299311
2-butan-2-yl-6-methyl-N,N-diphenylaniline
CID 139836206
2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
CID 22900130
2,3,4,5,6-pentamethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,3,4,5,6-pentamethylphenyl)aniline
CID 20734397
2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline
CID 158948149
N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline
CID 118968850
ethane;1,3,4,5,7,8-hexamethyl-2-N,2-N,6-N,6-N,9-N,9-N,10-heptakis-phenylanthracene-2,6,9-triamine
CID 158200575

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline?
The IUPAC name of N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline (CID 88869874) is N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline is Cc1cccc(C)c1N(c1ccccc1)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline?
The InChIKey is CHMRYWYHCAPJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-16-12-11-13-17(2)24(16)26(23-14-9-8-10-15-23)25-21(6)19(4)18(3)20(5)22(25)7/h8-15H,1-7H3.
What are the key properties of N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline?
N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline has a molecular weight of 343.51 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline is sourced from PubChem (CID 88869874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).