Chem
J-GLOBAL ID：200907067122254388
Nikkaji number：J2.077.521A
2,5,8,11,14,17-Hexakis(2-decyltetradecyl)hexabenzo[bc,ef,hi,kl,no,qr]coronene
2,5,8,11,14,17-ヘキサキス(2-デシルテトラデシル)ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
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
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
Molecular formula： C186H306
Molecular formula furigana： C186-H306
Molecular weight： 2542.494
InChI：
InChI=1S/C186H306/c1-13-25-37-49-61-73-79-91-103-115-127-151(121-109-97-85-67-55-43-31-19-7)133-157-139-163-165-141-158(134-152(122-110-98-86-68-56-44-32-20-8)128-116-104-92-80-74-62-50-38-26-14-2)143-167-169-145-160(136-154(124-112-100-88-70-58-46-34-22-10)130-118-106-94-82-76-64-52-40-28-16-4)147-171-173-149-162(138-156(126-114-102-90-72-60-48-36-24-12)132-120-108-96-84-78-66-54-42-30-18-6)150-174-172-148-161(137-155(125-113-101-89-71-59-47-35-23-11)131-119-107-95-83-77-65-53-41-29-17-5)146-170-168-144-159(135-153(123-111-99-87-69-57-45-33-21-9)129-117-105-93-81-75-63-51-39-27-15-3)142-166-164(140-157)175(163)181-182(176(165)167)184(178(169)171)186(180(173)174)185(179(170)172)183(181)177(166)168/h139-156H,13-138H2,1-12H3
InChI key：
VAKIOIADWOEDCJ-UHFFFAOYSA-N
SMILES：
CCCCCCCCCCCCC(CCCCCCCCCC)Cc1cc2c3cc(CC(CCCCCCCCCC)CCCCCCCCCCCC)cc4c5cc(CC(CCCCCCCCCC)CCCCCCCCCCCC)cc6c7cc(CC(CCCCCCCCCC)CCCCCCCCCCCC)cc8c9cc(CC(CCCCCCCCCC)CCCCCCCCCCCC)cc%10c%11cc(CC(CCCCCCCCCC)CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12
Systematic name (3)：
- 2,5,8,11,14,17-ヘキサキス(2-デシルテトラデシル)ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
- 6,11,20,25,34,39-ヘキサキス(2-デシルテトラデシル)トリデカシクロ[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]ドテトラコンタ-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘンイコサエン
- 6,11,20,25,34,39-hexakis(2-decyltetradecyl)tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
- 2,5,8,11,14,17-Hexakis(2-decyltetradecyl)hexabenzo[bc,ef,hi,kl,no,qr]coronene
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