4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline

C44H49NO — CID 89295001

IUPAC4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline
SMILESC=Cc1ccc(Oc2ccc(-c3ccc(N(c4ccc(C(C)(C)CCC)cc4)c4ccc(C(C)(CC)CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H49NO/c1-8-32-43(5,6)36-18-24-39(25-19-36)45(40-26-20-37(21-27-40)44(7,10-3)11-4)38-22-14-34(15-23-38)35-16-30-42(31-17-35)46-41-28-12-33(9-2)13-29-41/h9,12-31H,2,8,10-11,32H2,1,3-7H3
InChIKeyOSLHLUJFCPZXEE-UHFFFAOYSA-N
MW607.88 g/mol
LogP13.41
Rot. Bonds13

About 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline

4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline (PubChem CID 89295001) has the molecular formula C44H49NO and a molecular weight of 607.88 g/mol. Its IUPAC name is 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline
PubChem CID89295001
Molecular FormulaC44H49NO
Molecular Weight607.88 g/mol
Exact Mass607.38
IUPAC Name4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline
SMILESC=Cc1ccc(Oc2ccc(-c3ccc(N(c4ccc(C(C)(C)CCC)cc4)c4ccc(C(C)(CC)CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H49NO/c1-8-32-43(5,6)36-18-24-39(25-19-36)45(40-26-20-37(21-27-40)44(7,10-3)11-4)38-22-14-34(15-23-38)35-16-30-42(31-17-35)46-41-28-12-33(9-2)13-29-41/h9,12-31H,2,8,10-11,32H2,1,3-7H3
InChIKeyOSLHLUJFCPZXEE-UHFFFAOYSA-N
XLogP13.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.88
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline with MolForge

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Related Compounds

4-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]aniline
CID 143498666
N,N-bis[4-(3-methylhexan-3-yl)phenyl]-4-(4-phenoxyphenyl)aniline
CID 71176881
4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline
CID 59196876
1-(3-methylpentan-3-yl)-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene
CID 143591790
4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline
CID 121321414
3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline
CID 89344348
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 166686240
N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline
CID 71168391
N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline
CID 89294997
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518
4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline
CID 167019692

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline?
The IUPAC name of 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline (CID 89295001) is 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline.
What is the SMILES notation for 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline?
The canonical SMILES for 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline is C=Cc1ccc(Oc2ccc(-c3ccc(N(c4ccc(C(C)(C)CCC)cc4)c4ccc(C(C)(CC)CC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline?
The InChIKey is OSLHLUJFCPZXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49NO/c1-8-32-43(5,6)36-18-24-39(25-19-36)45(40-26-20-37(21-27-40)44(7,10-3)11-4)38-22-14-34(15-23-38)35-16-30-42(31-17-35)46-41-28-12-33(9-2)13-29-41/h9,12-31H,2,8,10-11,32H2,1,3-7H3.
What are the key properties of 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline?
4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline has a molecular weight of 607.88 g/mol, XLogP of 13.41, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline is sourced from PubChem (CID 89295001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).