BODIPY 581/591 C11
HIT218850145
sdf文件结构编辑类似物检索
HIT ID: HIT218850145
Cas No: 217075-36-0
分子式: C30H35BF2N2O2
分子量: 504.43
常用名: BODIPY 581/591 C11
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: hydrogen 4-(10-carboxylatodecyl)-2,2-difluoro-12-(4-phenylbuta-1,3-dien-1-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC: hydrogen 4-(10-carboxylatodecyl)-2,2-difluoro-12-(4-phenylbuta-1,3-dien-1-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
SMILES: [H+].[O-]C(=O)CCCCCCCCCCc1ccc2C=C3C=CC(C=CC=Cc4ccccc4)=[N+]3[B-](F)(F)n12
SMILES: [H+].[O-]C(=O)CCCCCCCCCCc1ccc2C=C3C=CC(C=CC=Cc4ccccc4)=[N+]3[B-](F)(F)n12
InChI key: KXOYQMUYGHQCBT-UHFFFAOYSA-N
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