CAS 1250437-63-8 2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-bis[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-fluorene (HCID 86682851)

기본 정보

CAS: 1250437-63-8
표준 SMILES: CCOC(=O)c1cc(C2(c3ccc(OCCOCCOCCOC)c(C(=O)OCC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)ccc1OCCOCCOCCOC
InChIKey: MGWDUSCBPBFSLV-UHFFFAOYSA-N
분자식: C57H76B2O16
평균 분자량: 1,038.8 g/mol
단동위원소 질량: 1,038.53194715

이름 및 식별자

우선 이름: 2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-bis[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-fluorene
IUPAC: ethyl 5-[9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate

이름 및 동의어

SCHEMBL564183MGWDUSCBPBFSLV-UHFFFAOYSA-NDTXSID0013603121250437-63-82,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-bis[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-fluoreneBenzoic acid, 3,3a(2)-[2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluoren-9-ylidene]bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-, 1,1a(2)-diethyl ester

데이터베이스 식별자

CAS: 1250437-63-8
PubChem CID: 86682851
DTXSID: DTXSID001360312

물성

구조 계산 물성

극성 표면적: 163 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 16
회전 가능 결합 수: 30
무거운 원자 수: 75
형식 전하: 0
복잡도: 1,610

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