[8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane

C27H40OP2 — CID 132551670

IUPAC[8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cccc2c1C(C)(C)c1c(cccc1P(C(C)C)C(C)C)O2)C(C)C
InChIInChI=1S/C27H40OP2/c1-17(2)29(18(3)4)23-15-11-13-21-25(23)27(9,10)26-22(28-21)14-12-16-24(26)30(19(5)6)20(7)8/h11-20H,1-10H3
InChIKeyGQBFAGBHEXWTEM-UHFFFAOYSA-N
MW442.56 g/mol
LogP7.97
Rot. Bonds6

About [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane

[8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane (PubChem CID 132551670) has the molecular formula C27H40OP2 and a molecular weight of 442.56 g/mol. Its IUPAC name is [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane
PubChem CID132551670
Molecular FormulaC27H40OP2
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name[8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cccc2c1C(C)(C)c1c(cccc1P(C(C)C)C(C)C)O2)C(C)C
InChIInChI=1S/C27H40OP2/c1-17(2)29(18(3)4)23-15-11-13-21-25(23)27(9,10)26-22(28-21)14-12-16-24(26)30(19(5)6)20(7)8/h11-20H,1-10H3
InChIKeyGQBFAGBHEXWTEM-UHFFFAOYSA-N
XLogP7.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905
2-(9-methylxanthen-9-yl)propanoic acid
CID 19419331
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
9,9-dimethyl-3-[[4-(2-methylpropyl)phenyl]methyl]xanthene
CID 155473594
13-[8-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-9,9-dimethylxanthen-1-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 101402295
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
9,9-dimethylxanthene;triphenylphosphane
CID 175584517
2-amino-N-[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
CID 143460384
(1R)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-methylbutan-1-amine
CID 171207850
(9-methyl-9H-fluoren-1-yl)-di(propan-2-yl)phosphane
CID 154022200
9,9-dimethylxanthene-1,2-diol
CID 150510320
[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane
CID 166647614

Frequently Asked Questions

What is the IUPAC name of [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane?
The IUPAC name of [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane (CID 132551670) is [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane?
The canonical SMILES for [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane is CC(C)P(c1cccc2c1C(C)(C)c1c(cccc1P(C(C)C)C(C)C)O2)C(C)C.
What is the InChIKey of [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane?
The InChIKey is GQBFAGBHEXWTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40OP2/c1-17(2)29(18(3)4)23-15-11-13-21-25(23)27(9,10)26-22(28-21)14-12-16-24(26)30(19(5)6)20(7)8/h11-20H,1-10H3.
What are the key properties of [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane?
[8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane has a molecular weight of 442.56 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane is sourced from PubChem (CID 132551670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).