N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline

C27H35N — CID 142315143

IUPACN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline
SMILESCc1cccc(N(C2=CC=C(C(C)(C)C)CC2)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C27H35N/c1-20-9-8-10-25(19-20)28(23-15-11-21(12-16-23)26(2,3)4)24-17-13-22(14-18-24)27(5,6)7/h8-13,15-17,19H,14,18H2,1-7H3
InChIKeyOXDJUTDAQZJGRN-UHFFFAOYSA-N
MW373.58 g/mol
LogP8.08
Rot. Bonds3

About N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline

N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline (PubChem CID 142315143) has the molecular formula C27H35N and a molecular weight of 373.58 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline
PubChem CID142315143
Molecular FormulaC27H35N
Molecular Weight373.58 g/mol
Exact Mass373.28
IUPAC NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline
SMILESCc1cccc(N(C2=CC=C(C(C)(C)C)CC2)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C27H35N/c1-20-9-8-10-25(19-20)28(23-15-11-21(12-16-23)26(2,3)4)24-17-13-22(14-18-24)27(5,6)7/h8-13,15-17,19H,14,18H2,1-7H3
InChIKeyOXDJUTDAQZJGRN-UHFFFAOYSA-N
XLogP8.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
6-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-2-N-(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89152592
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-fluoro-5-iodoaniline
CID 142315170
3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-N-phenylaniline
CID 70917236
3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 89122821
N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
CID 142315173
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-3-methylaniline
CID 89067945
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-5,7,8-triphenyltriphenylen-2-amine
CID 89083639
4-N,7-N-bis(3-methylphenyl)-4-N,7-N-bis(4-methylphenyl)-1,2-dihydroacenaphthylene-4,7-diamine
CID 139606577
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline?
The IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline (CID 142315143) is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline.
What is the SMILES notation for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline?
The canonical SMILES for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline is Cc1cccc(N(C2=CC=C(C(C)(C)C)CC2)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline?
The InChIKey is OXDJUTDAQZJGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N/c1-20-9-8-10-25(19-20)28(23-15-11-21(12-16-23)26(2,3)4)24-17-13-22(14-18-24)27(5,6)7/h8-13,15-17,19H,14,18H2,1-7H3.
What are the key properties of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline?
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline has a molecular weight of 373.58 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline is sourced from PubChem (CID 142315143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).