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3,4,13,14-tetraphenylheptacyclo[14.4.4.4(6,11).0(2,5).0(8,27).0(12,15).0(18,22)]octacosa-1(21),6,8(27),9,11(28),16,18(22),19,23,25-decaene
SpectraBase Compound ID 3HHz0m5QKsg
InChI InChI=1S/C52H40/c1-5-13-33(14-6-1)45-46(34-15-7-2-8-16-34)50-42-26-22-40-32-44(28-24-39(40)30-42)52-48(36-19-11-4-12-20-36)47(35-17-9-3-10-18-35)51(52)43-27-23-37-29-41(49(45)50)25-21-38(37)31-43/h1-32,45-52H
InChIKey IQQBPGQBIAGKHQ-UHFFFAOYSA-N
Mol Weight 664.9 g/mol
Molecular Formula C52H40
Exact Mass 664.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUST5dBVwm0
Name 3,4,13,14-tetraphenylheptacyclo[14.4.4.4(6,11).0(2,5).0(8,27).0(12,15).0(18,22)]octacosa-1(21),6,8(27),9,11(28),16,18(22),19,23,25-decaene
CAS Registry Number 121373-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H40
InChI InChI=1S/C52H40/c1-5-13-33(14-6-1)45-46(34-15-7-2-8-16-34)50-42-26-22-40-32-44(28-24-39(40)30-42)52-48(36-19-11-4-12-20-36)47(35-17-9-3-10-18-35)51(52)43-27-23-37-29-41(49(45)50)25-21-38(37)31-43/h1-32,45-52H
InChIKey IQQBPGQBIAGKHQ-UHFFFAOYSA-N
Molecular Weight 664.892 g/mol
SMILES C12C(c3cc4ccc(cc4cc3)C3C(c4cc5ccc2cc5cc4)C(C3c2ccccc2)c2ccccc2)C(C1c1ccccc1)c1ccccc1
SPLASH splash10-001i-0009000000-43e0b45bd62c38efbcf9
Source of Spectrum K-122-2146-9
Synonyms 3,4,15,16-tetraphenylheptacyclo[19.3.1.1(6,10).1(9,13).1(18,22).0(2,5).0(14,17)]octacosa-1(25),6(28),7,9,9(27),10,12,18(26),19,21,23-undecaene
Wiley ID 1413731