chempirical

Spiro-NPB

C57H38N2CAS 932739-76-9750.95 g/mol

Open in Covalent MOL file
NN
Tertiary amine

Properties

Molecular formula
C57H38N2
Molar mass
750.95 g/mol
Exact mass
750.3035 Da
logP
15.28Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
932739-76-9
SMILES
C1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=C(C35C6=CC=CC=C6C7=CC=CC=C57)C=C(C=C4)N(C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21
InChIKey
ZDAWFMCVTXSZTC-UHFFFAOYSA-N
InChI
InChI=1S/C57H38N2/c1-3-21-41(22-4-1)58(55-31-15-19-39-17-7-9-25-45(39)55)43-33-35-49-50-36-34-44(59(42-23-5-2-6-24-42)56-32-16-20-40-18-8-10-26-46(40)56)38-54(50)57(53(49)37-43)51-29-13-11-27-47(51)48-28-12-14-30-52(48)57/h1-38H

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Names and synonyms

1 names
  • N2,N7-Di-1-naphthalenyl-N2,N7-diphenyl-9,9'-spirobi[9H-fluorene]-2,7-diamine

Work with Spiro-NPB

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N'-Bis- (1-naphthalenyl)-N,N'-bis-phenyl-(1,1'-biphenyl)-4,4'-diamine123847-85-859 % similar N,N'-Bis[4-(diphenylamino)phenyl]-N,N'-di(1-naphthyl)benzidine910058-11-657 % similar N-(4-Bromophenyl)-N-phenyl-1-naphthylamine138310-84-655 % similar N-([1,1'-Biphenyl]-4-yl)-N-(9,9-dimethyl-9H-fluoren-2-yl)-9,9'-spirobi[fluoren]-2-amine1364602-88-952 % similar 2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene207739-72-841 % similar 9,9'-Spirobi(9H-fluorene)-2-boronic Acid236389-21-240 % similar 9,9'-Spirobi[fluoren]-2-amine118951-68-140 % similar 2-Bromo-9,9′-spirobi[9H-fluorene]171408-76-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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