2-(9,9′-Spirobi[9H-fluoren]-2-yl)-4,6-bis([1,1′:3′,1′′-terphenyl]-5′-yl)-1,3,5-triazine

C64H41N3CAS 1233200-52-6852.05 g/mol

Open in Covalent MOL file
NNN

Properties

Molecular formula
C64H41N3
Molar mass
852.05 g/mol
Exact mass
851.3300 Da
logP
15.88Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

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
1233200-52-6
SMILES
c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)c2)cc1
InChIKey
LXCFSFDAHQLFAC-UHFFFAOYSA-N
InChI
InChI=1S/C64H41N3/c1-5-19-42(20-6-1)47-35-48(43-21-7-2-8-22-43)38-51(37-47)62-65-61(66-63(67-62)52-39-49(44-23-9-3-10-24-44)36-50(40-52)45-25-11-4-12-26-45)46-33-34-56-55-29-15-18-32-59(55)64(60(56)41-46)57-30-16-13-27-53(57)54-28-14-17-31-58(54)64/h1-41H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 1,3,5-Triazine, 2-(9,9′-spirobi[9H-fluoren]-2-yl)-4,6-bis([1,1′:3′,1′′-terphenyl]-5′-yl)-

Work with 2-(9,9′-Spirobi[9H-fluoren]-2-yl)-4,6-bis([1,1′:3′,1′′-terphenyl]-5′-yl)-1,3,5-triazine

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

2-Chloro-4,6-bis(9,9-dimethyl-9H-fluoren-2yl)-1,3,5-triazine1459162-69-650 % similar N-([1,1'-Biphenyl]-4-yl)-N-(9,9-dimethyl-9H-fluoren-2-yl)-9,9'-spirobi[fluoren]-2-amine1364602-88-947 % similar Tris-biphenyl triazine31274-51-845 % similar 9,9'-Spirobi(9H-fluorene)159-66-044 % similar 9,9'-Spirobi[fluoren]-2-amine118951-68-144 % similar 2-Chloro-4-(biphenyl-3-yl)-6-phenyl-1,3,5-triazine1689576-03-144 % similar 2-Bromo-9,9′-spirobi[9H-fluorene]171408-76-744 % similar 2,7-Dibromo-9,9'-spiro-bifluorene171408-84-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook