N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline

C45H46N2 — CID 71125825

IUPACN-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline
SMILESCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C(CC)CCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H46N2/c1-4-13-35-19-27-42(28-20-35)46(40-15-9-7-10-16-40)44-31-23-38(24-32-44)39-25-33-45(34-26-39)47(41-17-11-8-12-18-41)43-29-21-37(22-30-43)36(6-3)14-5-2/h7-12,15-34,36H,4-6,13-14H2,1-3H3
InChIKeyFUWJDQHNEDYNKU-UHFFFAOYSA-N
MW614.88 g/mol
LogP13.54
Rot. Bonds13

About N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline

N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline (PubChem CID 71125825) has the molecular formula C45H46N2 and a molecular weight of 614.88 g/mol. Its IUPAC name is N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline.

Molecular Properties

Compound NameN-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline
PubChem CID71125825
Molecular FormulaC45H46N2
Molecular Weight614.88 g/mol
Exact Mass614.37
IUPAC NameN-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline
SMILESCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C(CC)CCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H46N2/c1-4-13-35-19-27-42(28-20-35)46(40-15-9-7-10-16-40)44-31-23-38(24-32-44)39-25-33-45(34-26-39)47(41-17-11-8-12-18-41)43-29-21-37(22-30-43)36(6-3)14-5-2/h7-12,15-34,36H,4-6,13-14H2,1-3H3
InChIKeyFUWJDQHNEDYNKU-UHFFFAOYSA-N
XLogP13.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.88
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 71125003
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol
CID 54265390
3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline
CID 134172904
1-N,1-N,4-N-triphenyl-4-N-[4-[4-[2-phenyl-2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]phenyl]benzene-1,4-diamine
CID 123954452
ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
CID 144519167
N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
CID 67658783
1-(2-aminopentyl)-3-methyl-3-phenyl-1-[4-(4-propylphenyl)phenyl]urea
CID 169109482
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
1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol
CID 23561857
4-[4-[2-[4-[4-(N-[4-[4-(1,2-diphenylethyl)phenyl]phenyl]anilino)phenyl]phenyl]-2-phenylethyl]phenyl]-N,N-diphenylaniline
CID 143893805

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline?
The IUPAC name of N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline (CID 71125825) is N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline.
What is the SMILES notation for N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline?
The canonical SMILES for N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline is CCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C(CC)CCC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline?
The InChIKey is FUWJDQHNEDYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N2/c1-4-13-35-19-27-42(28-20-35)46(40-15-9-7-10-16-40)44-31-23-38(24-32-44)39-25-33-45(34-26-39)47(41-17-11-8-12-18-41)43-29-21-37(22-30-43)36(6-3)14-5-2/h7-12,15-34,36H,4-6,13-14H2,1-3H3.
What are the key properties of N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline?
N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline has a molecular weight of 614.88 g/mol, XLogP of 13.54, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline is sourced from PubChem (CID 71125825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).