4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline

C45H46N2 — CID 71125003

IUPAC4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
SMILESCCCC(CC)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H46N2/c1-5-13-35(6-2)37-20-28-43(29-21-37)47(41-16-11-8-12-17-41)45-32-24-39(25-33-45)38-22-30-44(31-23-38)46(40-14-9-7-10-15-40)42-26-18-36(19-27-42)34(3)4/h7-12,14-35H,5-6,13H2,1-4H3
InChIKeyAWMXOTVPDVDWFJ-UHFFFAOYSA-N
MW614.88 g/mol
LogP13.71
Rot. Bonds12

About 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline

4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline (PubChem CID 71125003) has the molecular formula C45H46N2 and a molecular weight of 614.88 g/mol. Its IUPAC name is 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
PubChem CID71125003
Molecular FormulaC45H46N2
Molecular Weight614.88 g/mol
Exact Mass614.37
IUPAC Name4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
SMILESCCCC(CC)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H46N2/c1-5-13-35(6-2)37-20-28-43(29-21-37)47(41-16-11-8-12-17-41)45-32-24-39(25-33-45)38-22-30-44(31-23-38)46(40-14-9-7-10-15-40)42-26-18-36(19-27-42)34(3)4/h7-12,14-35H,5-6,13H2,1-4H3
InChIKeyAWMXOTVPDVDWFJ-UHFFFAOYSA-N
XLogP13.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.88
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline
CID 71125825
4-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 71095331
4-N-[4-[5-(4-benzhydrylphenyl)heptan-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 58782689
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
CID 58836420
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine
CID 22900262
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
4-(4-benzhydrylphenyl)-N,N-diphenylaniline
CID 58782687

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline (CID 71125003) is 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline is CCCC(CC)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is AWMXOTVPDVDWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N2/c1-5-13-35(6-2)37-20-28-43(29-21-37)47(41-16-11-8-12-17-41)45-32-24-39(25-33-45)38-22-30-44(31-23-38)46(40-14-9-7-10-15-40)42-26-18-36(19-27-42)34(3)4/h7-12,14-35H,5-6,13H2,1-4H3.
What are the key properties of 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 614.88 g/mol, XLogP of 13.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 71125003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).