N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline

C56H56N2O — CID 142700703

IUPACN-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline
SMILESc1ccc(N(c2ccccc2)C(CCCCCOCCCCCC(c2cccc3ccccc23)N(c2ccccc2)c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H56N2O/c1-7-29-47(30-8-1)57(48-31-9-2-10-32-48)55(53-39-23-27-45-25-17-19-37-51(45)53)41-15-5-21-43-59-44-22-6-16-42-56(54-40-24-28-46-26-18-20-38-52(46)54)58(49-33-11-3-12-34-49)50-35-13-4-14-36-50/h1-4,7-14,17-20,23-40,55-56H,5-6,15-16,21-22,41-44H2
InChIKeyFHBVPFGZHOYQOA-UHFFFAOYSA-N
MW773.08 g/mol
LogP15.59
Rot. Bonds20

About N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline

N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline (PubChem CID 142700703) has the molecular formula C56H56N2O and a molecular weight of 773.08 g/mol. Its IUPAC name is N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline
PubChem CID142700703
Molecular FormulaC56H56N2O
Molecular Weight773.08 g/mol
Exact Mass772.44
IUPAC NameN-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline
SMILESc1ccc(N(c2ccccc2)C(CCCCCOCCCCCC(c2cccc3ccccc23)N(c2ccccc2)c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H56N2O/c1-7-29-47(30-8-1)57(48-31-9-2-10-32-48)55(53-39-23-27-45-25-17-19-37-51(45)53)41-15-5-21-43-59-44-22-6-16-42-56(54-40-24-28-46-26-18-20-38-52(46)54)58(49-33-11-3-12-34-49)50-35-13-4-14-36-50/h1-4,7-14,17-20,23-40,55-56H,5-6,15-16,21-22,41-44H2
InChIKeyFHBVPFGZHOYQOA-UHFFFAOYSA-N
XLogP15.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.08
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline?
The IUPAC name of N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline (CID 142700703) is N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline.
What is the SMILES notation for N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline?
The canonical SMILES for N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline is c1ccc(N(c2ccccc2)C(CCCCCOCCCCCC(c2cccc3ccccc23)N(c2ccccc2)c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline?
The InChIKey is FHBVPFGZHOYQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56N2O/c1-7-29-47(30-8-1)57(48-31-9-2-10-32-48)55(53-39-23-27-45-25-17-19-37-51(45)53)41-15-5-21-43-59-44-22-6-16-42-56(54-40-24-28-46-26-18-20-38-52(46)54)58(49-33-11-3-12-34-49)50-35-13-4-14-36-50/h1-4,7-14,17-20,23-40,55-56H,5-6,15-16,21-22,41-44H2.
What are the key properties of N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline?
N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline has a molecular weight of 773.08 g/mol, XLogP of 15.59, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-naphthalen-1-yl-6-[6-naphthalen-1-yl-6-(N-phenylanilino)hexoxy]hexyl]-N-phenylaniline is sourced from PubChem (CID 142700703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).