[8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite

C41H42O7P2 — CID 142850207

IUPAC[8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite
SMILESCC(C)c1ccccc1OP(O)Oc1cccc2c1C(=O)c1c(cccc1OP(Oc1ccccc1C(C)C)Oc1ccccc1C(C)C)C2
InChIInChI=1S/C41H42O7P2/c1-26(2)31-17-7-10-20-34(31)44-49(43)45-37-23-13-15-29-25-30-16-14-24-38(40(30)41(42)39(29)37)48-50(46-35-21-11-8-18-32(35)27(3)4)47-36-22-12-9-19-33(36)28(5)6/h7-24,26-28,43H,25H2,1-6H3
InChIKeyZQSMSMMJFXPWJM-UHFFFAOYSA-N
MW708.73 g/mol
LogP11.63
Rot. Bonds13

About [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite

[8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite (PubChem CID 142850207) has the molecular formula C41H42O7P2 and a molecular weight of 708.73 g/mol. Its IUPAC name is [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite.

Molecular Properties

Compound Name[8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite
PubChem CID142850207
Molecular FormulaC41H42O7P2
Molecular Weight708.73 g/mol
Exact Mass708.24
IUPAC Name[8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite
SMILESCC(C)c1ccccc1OP(O)Oc1cccc2c1C(=O)c1c(cccc1OP(Oc1ccccc1C(C)C)Oc1ccccc1C(C)C)C2
InChIInChI=1S/C41H42O7P2/c1-26(2)31-17-7-10-20-34(31)44-49(43)45-37-23-13-15-29-25-30-16-14-24-38(40(30)41(42)39(29)37)48-50(46-35-21-11-8-18-32(35)27(3)4)47-36-22-12-9-19-33(36)28(5)6/h7-24,26-28,43H,25H2,1-6H3
InChIKeyZQSMSMMJFXPWJM-UHFFFAOYSA-N
XLogP11.63
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.73
LogP ≤ 511.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
CID 142925487
(8-dinaphthalen-2-yloxyphosphanyloxy-9-oxo-10H-anthracen-1-yl) dinaphthalen-2-yl phosphite
CID 58931783
[8-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
CID 58931576
buta-1,3-diene;(E)-3,4-dimethylpent-2-ene;[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
CID 142925486
1-propan-2-yloxy-10H-anthracen-9-one
CID 22730975
3-methylidene-8-(2-propan-2-ylphenoxy)-4H-isoquinolin-1-one
CID 170264039
1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one
CID 20542345
[8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid
CID 142850082
2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850374
1,8-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)anthracene-9,10-dione;1,8-bis(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-yloxy)anthracene-9,10-dione;[8-bis[2-(1,3-dioxolan-2-yl)phenoxy]phosphanyloxy-9,10-dioxoanthracen-1-yl] bis[2-(1,3-dioxolan-2-yl)phenyl] phosphite;[5-bis(2-methylphenoxy)phosphanyloxy-9H-xanthen-4-yl] bis(2-methylphenyl) phosphite;[8-bis(2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-methylphenyl) (2-propan-2-ylphenyl) phosphite
CID 160693252
tris(2-butan-2-ylphenyl) phosphite
CID 18519322
hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium
CID 172760226

Frequently Asked Questions

What is the IUPAC name of [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite?
The IUPAC name of [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite (CID 142850207) is [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite.
What is the SMILES notation for [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite?
The canonical SMILES for [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite is CC(C)c1ccccc1OP(O)Oc1cccc2c1C(=O)c1c(cccc1OP(Oc1ccccc1C(C)C)Oc1ccccc1C(C)C)C2.
What is the InChIKey of [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite?
The InChIKey is ZQSMSMMJFXPWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42O7P2/c1-26(2)31-17-7-10-20-34(31)44-49(43)45-37-23-13-15-29-25-30-16-14-24-38(40(30)41(42)39(29)37)48-50(46-35-21-11-8-18-32(35)27(3)4)47-36-22-12-9-19-33(36)28(5)6/h7-24,26-28,43H,25H2,1-6H3.
What are the key properties of [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite?
[8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite has a molecular weight of 708.73 g/mol, XLogP of 11.63, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite is sourced from PubChem (CID 142850207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).