N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline

C30H32N2 — CID 67658783

IUPACN-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
SMILESCCCc1ccc(N(c2ccc(CCC)cc2)c2ccc(-c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C30H32N2/c1-3-5-23-7-17-28(18-8-23)32(29-19-9-24(6-4-2)10-20-29)30-21-13-26(14-22-30)25-11-15-27(31)16-12-25/h7-22H,3-6,31H2,1-2H3
InChIKeyYZQCKJFOAOJFPB-UHFFFAOYSA-N
MW420.60 g/mol
LogP8.31
Rot. Bonds8

About N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline

N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline (PubChem CID 67658783) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
PubChem CID67658783
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC NameN-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
SMILESCCCc1ccc(N(c2ccc(CCC)cc2)c2ccc(-c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C30H32N2/c1-3-5-23-7-17-28(18-8-23)32(29-19-9-24(6-4-2)10-20-29)30-21-13-26(14-22-30)25-11-15-27(31)16-12-25/h7-22H,3-6,31H2,1-2H3
InChIKeyYZQCKJFOAOJFPB-UHFFFAOYSA-N
XLogP8.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
N,N-bis(phosphanyl)-4-(4-propylphenyl)aniline
CID 169286170
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
4-[(E)-2-(4-propylphenyl)ethenyl]aniline
CID 143367381
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline?
The IUPAC name of N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline (CID 67658783) is N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline.
What is the SMILES notation for N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline?
The canonical SMILES for N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline is CCCc1ccc(N(c2ccc(CCC)cc2)c2ccc(-c3ccc(N)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline?
The InChIKey is YZQCKJFOAOJFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-3-5-23-7-17-28(18-8-23)32(29-19-9-24(6-4-2)10-20-29)30-21-13-26(14-22-30)25-11-15-27(31)16-12-25/h7-22H,3-6,31H2,1-2H3.
What are the key properties of N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline?
N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline has a molecular weight of 420.60 g/mol, XLogP of 8.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline is sourced from PubChem (CID 67658783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).