2-(Biphenyl-4-yl)-2-oxoethyl 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate
기본 정보
- CAS
355826-29-8- 표준 SMILES
CCCCCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)c3cc(C)ccc3n2)cc1- InChIKey
DEKPTOPJLPVFLD-UHFFFAOYSA-N- 분자식
- C37H35NO3
- 평균 분자량
- 541.7 g/mol
- 단동위원소 질량
- 541.26169398
이름 및 식별자
- 우선 이름
- 2-(Biphenyl-4-yl)-2-oxoethyl 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate
- 영어명
- 2-(biphenyl-4-yl)-2-oxoethyl 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate
- 분자식
- C37H35NO3
- 분자량
- 541.68
이름 및 동의어
ZINC2577105MFCD02104866STK196127AKOS003919757ZINC000002577105ST508539862(BIPHENYL4YL)2OXOETHYL2(4HEXYLPHENYL)6METHYLQUINOLINE4CARBOXYLATE2OXO2(4PHENYLPHENYL)ETHYL2(4HEXYLPHENYL)6METHYLQUINOLINE4CARBOXYLATE(2OXO2(4PHENYLPHENYL)ETHYL)2(4HEXYLPHENYL)6METHYLQUINOLINE4CARBOXYLATE2-(1,1'-BIPHENYL)-4-YL-2-OXOETHYL 2-(4-HEXYLPHENYL)-6-ME-4-QUINOLINECARBOXYLATE2-oxo-2-(4-phenylphenyl)ethyl 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylat eCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
이름 더 보기
2-(biphenyl-4-yl)-2-oxoethyl 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate4-Quinolinecarboxylic acid, 2-(4-hexylphenyl)-6-methyl-, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
데이터베이스 식별자
- CAS
355826-29-8- PubChem CID
- 3740493
- EC Number
- 138-763-8
물성
구조 계산 물성
- XLogP
- 10.1
- 극성 표면적
- 56.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 805
물리화학적 성질
- 끓는 점
- 728.3 · 728.3±60.0 °C(Predicted)
- 밀도
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.12 · 2.12±0.33(Predicted)
관련 반응
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