N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline

C22H25N — CID 142315177

IUPACN-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline
SMILESCC1=CC(N(c2ccccc2)c2cc(C)cc(C)c2)=CC(C)C1
InChIInChI=1S/C22H25N/c1-16-10-17(2)13-21(12-16)23(20-8-6-5-7-9-20)22-14-18(3)11-19(4)15-22/h5-10,12-15,18H,11H2,1-4H3
InChIKeyWAZWSSDOBBSJGL-UHFFFAOYSA-N
MW303.45 g/mol
LogP6.31
Rot. Bonds3

About N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline

N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline (PubChem CID 142315177) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline
PubChem CID142315177
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline
SMILESCC1=CC(N(c2ccccc2)c2cc(C)cc(C)c2)=CC(C)C1
InChIInChI=1S/C22H25N/c1-16-10-17(2)13-21(12-16)23(20-8-6-5-7-9-20)22-14-18(3)11-19(4)15-22/h5-10,12-15,18H,11H2,1-4H3
InChIKeyWAZWSSDOBBSJGL-UHFFFAOYSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5-N,16-N,16-N-tris(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 70923447
3,5-dimethyl-N,N-diphenylaniline
CID 10516410
9-N,15-N-di(dibenzofuran-4-yl)-9-N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-15-N-(3,5-dimethylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 144658748
3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 54172091
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline
CID 143665043
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 91323757
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59260496
N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
CID 90921715
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
3,5-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89067583
ethane;3-methyl-N,N-diphenylaniline
CID 145208007

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline?
The IUPAC name of N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline (CID 142315177) is N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline?
The canonical SMILES for N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline is CC1=CC(N(c2ccccc2)c2cc(C)cc(C)c2)=CC(C)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline?
The InChIKey is WAZWSSDOBBSJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-16-10-17(2)13-21(12-16)23(20-8-6-5-7-9-20)22-14-18(3)11-19(4)15-22/h5-10,12-15,18H,11H2,1-4H3.
What are the key properties of N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline?
N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline has a molecular weight of 303.45 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline is sourced from PubChem (CID 142315177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).