Chem
J-GLOBAL ID:202007015115189315
Nikkaji number:J3.745.058H
13,18-ジ-tert-ブチル-13,18-ジアザヘプタシクロ[15.11.0.02,14 .03,12 .04,9 .019,28 .022,27 ]オクタコサ-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-トリデカエン
13,18-ジ-tert-ブチル-13,18-ジアザヘプタシクロ[15.11.0.02,14 .03,12 .04,9 .019,28 .022,27 ]オクタコサ-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-トリデカエン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C34 H32 N2
Molecular formula furigana:
C34-H32-N2
Molecular weight:
468.644
InChI:
InChI=1S/C34H32N2/c1-33(2,3)35-25-17-15-21-11-7-9-13-23(21)29(25)31-27(35)19-20-28-32(31)30-24-14-10-8-12-22(24)16-18-26(30)36(28)34(4,5)6/h7-20H,1-6H3
InChI key:
HGKXCYGYJCZGAV-UHFFFAOYSA-N
SMILES:
c12c3c4c5ccccc5ccc4n(c3ccc1n(c1ccc3ccccc3c21)C(C)(C)C)C(C)(C)C
Systematic name (2):
13,18-ジ-tert-ブチル-13,18-ジアザヘプタシクロ[15.11.0.02,14 .03,12 .04,9 .019,28 .022,27 ]オクタコサ-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-トリデカエン
13,18-di-tert-butyl-13,18-diazaheptacyclo[15.11.0.02,14 .03,12 .04,9 .019,28 .022,27 ]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
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