[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane

C43H40OP2 — CID 166647614

IUPAC[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane
SMILESCCC(C)CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C43H40OP2/c1-4-32(2)31-43(3)37-27-17-29-39(45(33-19-9-5-10-20-33)34-21-11-6-12-22-34)41(37)44-42-38(43)28-18-30-40(42)46(35-23-13-7-14-24-35)36-25-15-8-16-26-36/h5-30,32H,4,31H2,1-3H3
InChIKeyMACNUZCXPFCWFU-UHFFFAOYSA-N
MW634.74 g/mol
LogP9.05
Rot. Bonds9

About [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane

[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane (PubChem CID 166647614) has the molecular formula C43H40OP2 and a molecular weight of 634.74 g/mol. Its IUPAC name is [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane.

Molecular Properties

Compound Name[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane
PubChem CID166647614
Molecular FormulaC43H40OP2
Molecular Weight634.74 g/mol
Exact Mass634.26
IUPAC Name[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane
SMILESCCC(C)CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C43H40OP2/c1-4-32(2)31-43(3)37-27-17-29-39(45(33-19-9-5-10-20-33)34-21-11-6-12-22-34)41(37)44-42-38(43)28-18-30-40(42)46(35-23-13-7-14-24-35)36-25-15-8-16-26-36/h5-30,32H,4,31H2,1-3H3
InChIKeyMACNUZCXPFCWFU-UHFFFAOYSA-N
XLogP9.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.74
LogP ≤ 59.05
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

[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
CID 145025633
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905
(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 138732432
[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
CID 126694706
(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
2-[4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthen-1-yl]acetamide
CID 122478627
4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;hydrogen peroxide
CID 161019366
(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane
CID 143050701
benzene;4,5-dihydro-1,3-oxazol-2-olate;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;palladium(2+)
CID 11564136
(10-diphenylphosphanyl-5,6-dihydrobenzo[b][1]benzoxepin-1-yl)-methyl-diphenylphosphanium
CID 89282822
N-[(S)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-(4-methoxyphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393922

Frequently Asked Questions

What is the IUPAC name of [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane?
The IUPAC name of [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane (CID 166647614) is [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane.
What is the SMILES notation for [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane?
The canonical SMILES for [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane is CCC(C)CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.
What is the InChIKey of [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane?
The InChIKey is MACNUZCXPFCWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40OP2/c1-4-32(2)31-43(3)37-27-17-29-39(45(33-19-9-5-10-20-33)34-21-11-6-12-22-34)41(37)44-42-38(43)28-18-30-40(42)46(35-23-13-7-14-24-35)36-25-15-8-16-26-36/h5-30,32H,4,31H2,1-3H3.
What are the key properties of [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane?
[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane has a molecular weight of 634.74 g/mol, XLogP of 9.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane is sourced from PubChem (CID 166647614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).