1,1′,1′′-(1,3,5-Benzenetriyl)tris[pyrene]

CAS Registry Number®

349666-25-7
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CAS Name

1,1′,1′′-(1,3,5-Benzenetriyl)tris[pyrene]

Molecular Formula

C54H30

Molecular Mass

678.82

Cite this Page

1,1′,1′′-(1,3,5-Benzenetriyl)tris[pyrene].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=349666-25-7 (retrieved 2024-08-14) (CAS RN: 349666-25-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    266 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C54H30/c1-4-31-10-13-37-16-22-43(46-25-19-34(7-1)49(31)52(37)46)40-28-41(44-23-17-38-14-11-32-5-2-8-35-20-26-47(44)53(38)50(32)35)30-42(29-40)45-24-18-39-15-12-33-6-3-9-36-21-27-48(45)54(39)51(33)36/h1-30H

InChIKey

InChIKey=HDMYKJVSQIHZLM-UHFFFAOYSA-N

SMILES

C12=C3C=4C=CC1=C(C=CC2=CC=C3C=CC4)C5=CC(=CC(=C5)C6=C7C8=C9C(C=C7)=CC=CC9=CC=C8C=C6)C%10=C%11C%12=C%13C(C=C%11)=CC=CC%13=CC=C%12C=C%10

Canonical SMILES

C1=CC2=CC=C3C=CC(C4=CC(=CC(=C4)C=5C=CC6=CC=C7C=CC=C8C=CC5C6=C78)C=9C=CC%10=CC=C%11C=CC=C%12C=CC9C%10=C%11%12)=C%13C=CC(=C1)C2=C3%13

Other Names for this Substance

  • Pyrene, 1,1′,1′′-(1,3,5-benzenetriyl)tris-
  • 1,1′,1′′-(1,3,5-Benzenetriyl)tris[pyrene]
  • 1,3,5-Tris(1-pyrenyl)benzene

Deleted or Replaced CAS Registry Numbers

475460-83-4, 862853-35-8