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

Properties

Molecular formula: C₆₄H₄₁N₃
Molar mass: 852.05 g/mol
Exact mass: 851.3300 Da
logP: 15.88Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 7

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

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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

2,4,6-Tribiphenyl-4-yl-1,3,5-triazine31274-51-845 % similar 9,9'-Spirobi[fluoren]-2-amine118951-68-144 % similar 2-Bromo-9,9′-spirobi[9H-fluorene]171408-76-744 % similar 9,9-Dimethyl-N-[1,1′:3′,1′′-terphenyl]-5′-yl-9H-fluoren-2-amine1372778-68-140 % similar 2-Amino-9,9-diphenylfluorene1268519-74-940 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-639 % similar 2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-538 % similar 1,3,5-Triphenylbenzene612-71-538 % similar

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

Elsewhere

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