N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline

C46H47N — CID 59863422

IUPACN,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
SMILESCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C46H47N/c1-8-33-9-11-34(12-10-33)37-17-27-42(28-18-37)47(43-29-19-38(20-30-43)35-13-23-40(24-14-35)45(2,3)4)44-31-21-39(22-32-44)36-15-25-41(26-16-36)46(5,6)7/h9-32H,8H2,1-7H3
InChIKeyBEZKORUERYYCTN-UHFFFAOYSA-N
MW613.89 g/mol
LogP13.31
Rot. Bonds7

About N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline

N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline (PubChem CID 59863422) has the molecular formula C46H47N and a molecular weight of 613.89 g/mol. Its IUPAC name is N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
PubChem CID59863422
Molecular FormulaC46H47N
Molecular Weight613.89 g/mol
Exact Mass613.37
IUPAC NameN,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
SMILESCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C46H47N/c1-8-33-9-11-34(12-10-33)37-17-27-42(28-18-37)47(43-29-19-38(20-30-43)35-13-23-40(24-14-35)45(2,3)4)44-31-21-39(22-32-44)36-15-25-41(26-16-36)46(5,6)7/h9-32H,8H2,1-7H3
InChIKeyBEZKORUERYYCTN-UHFFFAOYSA-N
XLogP13.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.89
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 142034446
1-tert-butyl-4-ethylbenzene
CID 157359507
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol
CID 18935095
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
N-(4-buta-1,3-dien-2-ylphenyl)-N-(4-tert-butylphenyl)-4-ethylaniline
CID 159225256
1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
CID 142025123
4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline
CID 59479623

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline?
The IUPAC name of N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline (CID 59863422) is N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline.
What is the SMILES notation for N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline?
The canonical SMILES for N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline is CCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline?
The InChIKey is BEZKORUERYYCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47N/c1-8-33-9-11-34(12-10-33)37-17-27-42(28-18-37)47(43-29-19-38(20-30-43)35-13-23-40(24-14-35)45(2,3)4)44-31-21-39(22-32-44)36-15-25-41(26-16-36)46(5,6)7/h9-32H,8H2,1-7H3.
What are the key properties of N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline?
N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline has a molecular weight of 613.89 g/mol, XLogP of 13.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline is sourced from PubChem (CID 59863422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).