8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]

C35H54O4P2 — CID 66556836

IUPAC8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]
SMILESCc1cc2c(c(P(=O)(C(C)C)C(C)C)c1)OC1(CC2(C)C)CC(C)(C)c2cc(C)cc(P(=O)(C(C)C)C(C)C)c2O1
InChIInChI=1S/C35H54O4P2/c1-21(2)40(36,22(3)4)29-17-25(9)15-27-31(29)38-35(19-33(27,11)12)20-34(13,14)28-16-26(10)18-30(32(28)39-35)41(37,23(5)6)24(7)8/h15-18,21-24H,19-20H2,1-14H3
InChIKeyUHTYKCKPQWQDPR-UHFFFAOYSA-N
MW600.76 g/mol
LogP9.43
Rot. Bonds6

About 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]

8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene] (PubChem CID 66556836) has the molecular formula C35H54O4P2 and a molecular weight of 600.76 g/mol. Its IUPAC name is 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene].

Molecular Properties

Compound Name8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]
PubChem CID66556836
Molecular FormulaC35H54O4P2
Molecular Weight600.76 g/mol
Exact Mass600.35
IUPAC Name8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]
SMILESCc1cc2c(c(P(=O)(C(C)C)C(C)C)c1)OC1(CC2(C)C)CC(C)(C)c2cc(C)cc(P(=O)(C(C)C)C(C)C)c2O1
InChIInChI=1S/C35H54O4P2/c1-21(2)40(36,22(3)4)29-17-25(9)15-27-31(29)38-35(19-33(27,11)12)20-34(13,14)28-16-26(10)18-30(32(28)39-35)41(37,23(5)6)24(7)8/h15-18,21-24H,19-20H2,1-14H3
InChIKeyUHTYKCKPQWQDPR-UHFFFAOYSA-N
XLogP9.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ditert-butyl-(8'-ditert-butylphosphanyl-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl)phosphane
CID 127262821
5-[4,4,4',4',6,6'-hexamethyl-8'-(5-oxobenzo[b]phosphindol-5-yl)-2,2'-spirobi[3H-chromene]-8-yl]benzo[b]phosphindole 5-oxide
CID 66556665
N-[8'-(benzylideneamino)-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-1-phenylmethanimine
CID 25185727
(4S)-4-tert-butyl-2-[8'-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl]-4,5-dihydro-1,3-oxazole
CID 102288659
2,2,4,4,6-pentamethyl-3H-chromene-8-carbonitrile
CID 59113730
2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
CID 177102156
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine
CID 67055545
2,2,4,4,6-pentamethyl-3H-chromene-7,8-diol
CID 23379904
16,24-bis(diethoxyphosphoryl)-3,3,10,12,19,19,23-heptamethyl-8,14-dioxahexacyclo[13.5.2.24,7.19,13.01,5.018,21]pentacosa-4(25),5,7(24),9(23),10,12,15,17,21-nonaene
CID 101042561
ethane;6-methoxy-4,4,4',4',7,7'-hexamethyl-6'-sulfanyloxy-2,2'-spirobi[3H-chromene]
CID 143547675
3,3,7-trimethyl-2H-1-benzofuran-5-carbaldehyde
CID 77230778
1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]
CID 54544142

Frequently Asked Questions

What is the IUPAC name of 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]?
The IUPAC name of 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene] (CID 66556836) is 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene].
What is the SMILES notation for 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]?
The canonical SMILES for 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene] is Cc1cc2c(c(P(=O)(C(C)C)C(C)C)c1)OC1(CC2(C)C)CC(C)(C)c2cc(C)cc(P(=O)(C(C)C)C(C)C)c2O1.
What is the InChIKey of 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]?
The InChIKey is UHTYKCKPQWQDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54O4P2/c1-21(2)40(36,22(3)4)29-17-25(9)15-27-31(29)38-35(19-33(27,11)12)20-34(13,14)28-16-26(10)18-30(32(28)39-35)41(37,23(5)6)24(7)8/h15-18,21-24H,19-20H2,1-14H3.
What are the key properties of 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]?
8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene] has a molecular weight of 600.76 g/mol, XLogP of 9.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8'-bis[di(propan-2-yl)phosphoryl]-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene] is sourced from PubChem (CID 66556836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).