기본 정보
- 표준 SMILES
CC1(C)OB(c2cccc(B3Nc4cccc5cccc(c45)N3)c2)OC1(C)C- InChIKey
DUHMHQCZFHLKDR-UHFFFAOYSA-N- 분자식
- C22H24B2N2O2
- 평균 분자량
- 370.1 g/mol
이름 및 식별자
- 우선 이름
- M-Benzenediboronic acid pinacol ester, 1,8-diaminonaphthalene, protected
- IUPAC
- 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
이름 및 동의어
950511-17-8MFCD17018842M-Benzenediboronic acid pinacol ester, 1,8-diaminonaphthalene, protected2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine3-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene(3-(1H-NAPHTHO[1,8-DE][1,3,2]DIAZABORININ-2(3H)-YL)PHENYL)BORONIC ACID PINACOL ESTER2,3-Dihydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxan-2yl)phenyl]-1H-naphtho[1,8-de][1,3,2]diazaborinine3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13}]trideca- 1(13),5,7,9,11-pentaene2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine3-[3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaeneSCHEMBL15793683DUHMHQCZFHLKDR-UHFFFAOYSA-N
이름 더 보기
AKOS022168227AS-2778CS-0175650F5321891-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene1H-Naphtho[1,8-de]-1,3,2-diazaborine, 2,3-dihydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-Dihydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-naphtho[1,8-de]-1,3,2-diazaborine2,3-Dihydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-naphtho[1,8-de][1,3,2]diazaborinine
데이터베이스 식별자
- PubChem CID
- 71306573
- Nikkaji
- J2.560.441E
물성
구조 계산 물성
- 극성 표면적
- 42.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 551
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