H2TPTBP
HIT218848144
sdf文件结构编辑类似物检索
HIT ID: HIT218848144
Cas No: 80528-89-8
分子式: C60H38N4
分子量: 814.992
常用名: H2TPTBP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2,11,20,29-tetraphenyl-37,38,39,40-tetraazanonacyclo[28.6.1.1^{3,10}.1^{12,19}.1^{21,28}.0^{4,9}.0^{13,18}.0^{22,27}.0^{31,36}]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
IUPAC: 2,11,20,29-tetraphenyl-37,38,39,40-tetraazanonacyclo[28.6.1.1^{3,10}.1^{12,19}.1^{21,28}.0^{4,9}.0^{13,18}.0^{22,27}.0^{31,36}]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
SMILES: c1ccc(cc1)-c1c2nc(c(-c3ccccc3)c3[nH]c(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5[nH]c1c1ccccc51)c1ccccc41)c1ccccc31)c1ccccc21
SMILES: c1ccc(cc1)-c1c2nc(c(-c3ccccc3)c3[nH]c(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5[nH]c1c1ccccc51)c1ccccc41)c1ccccc31)c1ccccc21
InChI key: FTLBCTMWXUZNRJ-SVGXTHBDSA-N
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