[2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane

C72H52O3P4S — CID 154979645

IUPAC[2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(P(=O)(c4ccccc4)c4cccc(-c5ccc(P(c6ccccc6)c6ccccc6Oc6ccccc6P(c6ccccc6)c6ccccc6)cc5)c4)cc3c2c1
InChIInChI=1S/C72H52O3P4S/c73-78(59-31-13-4-14-32-59,60-33-15-5-16-34-60)63-46-48-71-65(51-63)66-52-64(47-49-72(66)80-71)79(74,61-35-17-6-18-36-61)62-37-23-24-54(50-62)53-42-44-58(45-43-53)77(57-29-11-3-12-30-57)70-41-22-20-39-68(70)75-67-38-19-21-40-69(67)76(55-25-7-1-8-26-55)56-27-9-2-10-28-56/h1-52H
InChIKeyVGHXPDDYGMWSFQ-UHFFFAOYSA-N
MW1121.17 g/mol
LogP14.31
Rot. Bonds15

About [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane

[2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane (PubChem CID 154979645) has the molecular formula C72H52O3P4S and a molecular weight of 1121.17 g/mol. Its IUPAC name is [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane.

Molecular Properties

Compound Name[2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane
PubChem CID154979645
Molecular FormulaC72H52O3P4S
Molecular Weight1121.17 g/mol
Exact Mass1120.26
IUPAC Name[2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(P(=O)(c4ccccc4)c4cccc(-c5ccc(P(c6ccccc6)c6ccccc6Oc6ccccc6P(c6ccccc6)c6ccccc6)cc5)c4)cc3c2c1
InChIInChI=1S/C72H52O3P4S/c73-78(59-31-13-4-14-32-59,60-33-15-5-16-34-60)63-46-48-71-65(51-63)66-52-64(47-49-72(66)80-71)79(74,61-35-17-6-18-36-61)62-37-23-24-54(50-62)53-42-44-58(45-43-53)77(57-29-11-3-12-30-57)70-41-22-20-39-68(70)75-67-38-19-21-40-69(67)76(55-25-7-1-8-26-55)56-27-9-2-10-28-56/h1-52H
InChIKeyVGHXPDDYGMWSFQ-UHFFFAOYSA-N
XLogP14.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.17
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane with MolForge

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Related Compounds

4-[3-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-7-phenyl-1,10-phenanthroline
CID 156560742
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
[8-[cyclohepta-1,3,5-trien-1-yl(phenyl)phosphoryl]dibenzothiophen-2-yl]-diphenylphosphane
CID 154938991
2-diphenylphosphoryl-8-(12-phenylbenzo[k]fluoranthen-7-yl)dibenzothiophene
CID 148794729
2-[cyclohexa-1,3-dien-1-yl(phenyl)phosphoryl]-8-diphenylphosphoryldibenzothiophene
CID 142301618
[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;rhodium;perchlorate
CID 135084630
1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene
CID 132556763
6-(3-diphenylphosphorylphenyl)-[1]benzothiolo[3,2-c]quinoline
CID 129134322
2-(9-oxo-7-phenylthioxanthen-2-yl)-7-phenylthioxanthen-9-one
CID 123879199
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411227

Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane?
The IUPAC name of [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane (CID 154979645) is [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane.
What is the SMILES notation for [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane?
The canonical SMILES for [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane is O=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(P(=O)(c4ccccc4)c4cccc(-c5ccc(P(c6ccccc6)c6ccccc6Oc6ccccc6P(c6ccccc6)c6ccccc6)cc5)c4)cc3c2c1.
What is the InChIKey of [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane?
The InChIKey is VGHXPDDYGMWSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52O3P4S/c73-78(59-31-13-4-14-32-59,60-33-15-5-16-34-60)63-46-48-71-65(51-63)66-52-64(47-49-72(66)80-71)79(74,61-35-17-6-18-36-61)62-37-23-24-54(50-62)53-42-44-58(45-43-53)77(57-29-11-3-12-30-57)70-41-22-20-39-68(70)75-67-38-19-21-40-69(67)76(55-25-7-1-8-26-55)56-27-9-2-10-28-56/h1-52H.
What are the key properties of [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane?
[2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane has a molecular weight of 1121.17 g/mol, XLogP of 14.31, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphanylphenoxy)phenyl]-[4-[3-[(8-diphenylphosphoryldibenzothiophen-2-yl)-phenylphosphoryl]phenyl]phenyl]-phenylphosphane is sourced from PubChem (CID 154979645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).