N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine

C48H36N2 — CID 58898602

IUPACN,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine
SMILESC(C=Cc1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12)=Cc1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C48H36N2/c1-5-21-39(22-6-1)49(40-23-7-2-8-24-40)47-35-33-37(43-29-15-17-31-45(43)47)19-13-14-20-38-34-36-48(46-32-18-16-30-44(38)46)50(41-25-9-3-10-26-41)42-27-11-4-12-28-42/h1-36H
InChIKeyDLOUQKBCYZFCFI-UHFFFAOYSA-N
MW640.83 g/mol
LogP13.66
Rot. Bonds9

About N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine

N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine (PubChem CID 58898602) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine
PubChem CID58898602
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC NameN,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine
SMILESC(C=Cc1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12)=Cc1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C48H36N2/c1-5-21-39(22-6-1)49(40-23-7-2-8-24-40)47-35-33-37(43-29-15-17-31-45(43)47)19-13-14-20-38-34-36-48(46-32-18-16-30-44(38)46)50(41-25-9-3-10-26-41)42-27-11-4-12-28-42/h1-36H
InChIKeyDLOUQKBCYZFCFI-UHFFFAOYSA-N
XLogP13.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine (CID 58898602) is N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine is C(C=Cc1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12)=Cc1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine?
The InChIKey is DLOUQKBCYZFCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-5-21-39(22-6-1)49(40-23-7-2-8-24-40)47-35-33-37(43-29-15-17-31-45(43)47)19-13-14-20-38-34-36-48(46-32-18-16-30-44(38)46)50(41-25-9-3-10-26-41)42-27-11-4-12-28-42/h1-36H.
What are the key properties of N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine?
N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine has a molecular weight of 640.83 g/mol, XLogP of 13.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine is sourced from PubChem (CID 58898602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).