N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane

C30H41N — CID 143909835

IUPACN-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
SMILESCC.CCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H35N.C2H6/c1-7-22(6)25-12-18-28(19-13-25)29(26-14-8-23(9-15-26)20(2)3)27-16-10-24(11-17-27)21(4)5;1-2/h8-22H,7H2,1-6H3;1-2H3
InChIKeyBNMFCQCYJJNSRY-UHFFFAOYSA-N
MW415.67 g/mol
LogP9.94
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane

N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane (PubChem CID 143909835) has the molecular formula C30H41N and a molecular weight of 415.67 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
PubChem CID143909835
Molecular FormulaC30H41N
Molecular Weight415.67 g/mol
Exact Mass415.32
IUPAC NameN-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
SMILESCC.CCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H35N.C2H6/c1-7-22(6)25-12-18-28(19-13-25)29(26-14-8-23(9-15-26)20(2)3)27-16-10-24(11-17-27)21(4)5;1-2/h8-22H,7H2,1-6H3;1-2H3
InChIKeyBNMFCQCYJJNSRY-UHFFFAOYSA-N
XLogP9.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline
CID 89097686
4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline
CID 59722331
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline
CID 161251887
N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline
CID 143650432
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
CID 159095466
4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161492117
4-(N-(4-butan-2-ylphenyl)anilino)benzenesulfonic acid
CID 88869436

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane (CID 143909835) is N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane is CC.CCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane?
The InChIKey is BNMFCQCYJJNSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N.C2H6/c1-7-22(6)25-12-18-28(19-13-25)29(26-14-8-23(9-15-26)20(2)3)27-16-10-24(11-17-27)21(4)5;1-2/h8-22H,7H2,1-6H3;1-2H3.
What are the key properties of N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane?
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane has a molecular weight of 415.67 g/mol, XLogP of 9.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane is sourced from PubChem (CID 143909835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).