1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-bis(2-methylphenyl)phosphine)

HCID 11607018CAS 205497-65-0

基本情報

標準SMILES: Cc1ccccc1P(c1ccccc1C)c1cccc2c1Oc1c(P(c3ccccc3C)c3ccccc3C)cccc1C2(C)C
InChIKey: LRBMIJWNZORINX-UHFFFAOYSA-N
分子式: C43H40OP2
平均分子量: 634.7 g/mol
単同位体質量: 634.25543916

名称と識別子

優先名称: 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-bis(2-methylphenyl)phosphine)
IUPAC: [5-bis(2-methylphenyl)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenyl)phosphane

名称と別名

205497-65-01,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-bis(2-methylphenyl)phosphine)1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-bis(2-methylphenyl)phosphine]RefChem:212033(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(di-o-tolylphosphine)SCHEMBL2782724DTXSID601139228(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[bis(2-methylphenyl)phosphane]1,1a(2)-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-bis(2-methylphenyl)phosphine]

データベース識別子

CAS: 205497-65-0
PubChem CID: 11607018
DTXSID: DTXSID601139228
Nikkaji: J3.275.195D

物性

構造計算による物性

XLogP: 11.2
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 6
重原子数: 46
形式電荷: 0
複雑度: 862