4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine

C33H33N3 — CID 66900407

IUPAC4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCCCCC(N)N(c1ccccc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C33H33N3/c1-2-3-21-33(34)36(28-17-8-5-9-18-28)30-24-22-29(23-25-30)35(27-15-6-4-7-16-27)32-20-12-14-26-13-10-11-19-31(26)32/h4-20,22-25,33H,2-3,21,34H2,1H3
InChIKeyLRIXTMZBYANGJF-UHFFFAOYSA-N
MW471.65 g/mol
LogP8.92
Rot. Bonds9

About 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine

4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 66900407) has the molecular formula C33H33N3 and a molecular weight of 471.65 g/mol. Its IUPAC name is 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID66900407
Molecular FormulaC33H33N3
Molecular Weight471.65 g/mol
Exact Mass471.27
IUPAC Name4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCCCCC(N)N(c1ccccc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C33H33N3/c1-2-3-21-33(34)36(28-17-8-5-9-18-28)30-24-22-29(23-25-30)35(27-15-6-4-7-16-27)32-20-12-14-26-13-10-11-19-31(26)32/h4-20,22-25,33H,2-3,21,34H2,1H3
InChIKeyLRIXTMZBYANGJF-UHFFFAOYSA-N
XLogP8.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 118686066
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine (CID 66900407) is 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine is CCCCC(N)N(c1ccccc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is LRIXTMZBYANGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3/c1-2-3-21-33(34)36(28-17-8-5-9-18-28)30-24-22-29(23-25-30)35(27-15-6-4-7-16-27)32-20-12-14-26-13-10-11-19-31(26)32/h4-20,22-25,33H,2-3,21,34H2,1H3.
What are the key properties of 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine?
4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 471.65 g/mol, XLogP of 8.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 66900407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).