2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide

C28H26O2P2 — CID 102415355

IUPAC2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
SMILESCc1cc2c(cc1C)P(=O)(c1ccccc1)c1cc(C)c(C)cc1P2(=O)c1ccccc1
InChIInChI=1S/C28H26O2P2/c1-19-15-25-26(16-20(19)2)32(30,24-13-9-6-10-14-24)28-18-22(4)21(3)17-27(28)31(25,29)23-11-7-5-8-12-23/h5-18H,1-4H3
InChIKeyQJTGHXOPTIQKOK-UHFFFAOYSA-N
MW456.46 g/mol
LogP4.51
Rot. Bonds2

About 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide

2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide (PubChem CID 102415355) has the molecular formula C28H26O2P2 and a molecular weight of 456.46 g/mol. Its IUPAC name is 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide.

Molecular Properties

Compound Name2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
PubChem CID102415355
Molecular FormulaC28H26O2P2
Molecular Weight456.46 g/mol
Exact Mass456.14
IUPAC Name2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
SMILESCc1cc2c(cc1C)P(=O)(c1ccccc1)c1cc(C)c(C)cc1P2(=O)c1ccccc1
InChIInChI=1S/C28H26O2P2/c1-19-15-25-26(16-20(19)2)32(30,24-13-9-6-10-14-24)28-18-22(4)21(3)17-27(28)31(25,29)23-11-7-5-8-12-23/h5-18H,1-4H3
InChIKeyQJTGHXOPTIQKOK-UHFFFAOYSA-N
XLogP4.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide
CID 59167240
10-phenyl-5H-phenophosphazinine 10-oxide
CID 12550143
4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
CID 139428899
11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
CID 134395999
11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
CID 139429002
2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
CID 134327267
5,11-dibromo-2-oxo-2-phenyl-6,10-dithia-2λ5-phosphatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-8-one
CID 130429318
5-oxo-5-phenylbenzo[b]phosphindole-2,8-disulfonic acid
CID 101209121
10-oxo-10-phenylphenoxaphosphinine-2,3,7,8-tetracarboxylic acid
CID 100921752
6-(deuteriomethyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene 6,14-dioxide;tris(6,14-diphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide);propane
CID 159985686
5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide
CID 140898953
3-methyl-1-phenyl-2-propylphosphindole 1-oxide
CID 134842657

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide?
The IUPAC name of 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide (CID 102415355) is 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide.
What is the SMILES notation for 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide?
The canonical SMILES for 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide is Cc1cc2c(cc1C)P(=O)(c1ccccc1)c1cc(C)c(C)cc1P2(=O)c1ccccc1.
What is the InChIKey of 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide?
The InChIKey is QJTGHXOPTIQKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2P2/c1-19-15-25-26(16-20(19)2)32(30,24-13-9-6-10-14-24)28-18-22(4)21(3)17-27(28)31(25,29)23-11-7-5-8-12-23/h5-18H,1-4H3.
What are the key properties of 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide?
2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide has a molecular weight of 456.46 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide is sourced from PubChem (CID 102415355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).