diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane

C60H42N2OP2 — CID 134387581

IUPACdiphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane
SMILESc1ccc(-c2ccnc3c2ccc2c(-c4cccc(-c5ccc(P(c6ccccc6)c6ccccc6Oc6ccccc6P(c6ccccc6)c6ccccc6)cc5)c4)ccnc23)cc1
InChIInChI=1S/C60H42N2OP2/c1-5-18-44(19-6-1)51-38-40-61-59-53(51)36-37-54-52(39-41-62-60(54)59)46-21-17-20-45(42-46)43-32-34-50(35-33-43)65(49-26-11-4-12-27-49)58-31-16-14-29-56(58)63-55-28-13-15-30-57(55)64(47-22-7-2-8-23-47)48-24-9-3-10-25-48/h1-42H
InChIKeyUYTBGIAWKSWOKE-UHFFFAOYSA-N
MW868.96 g/mol
LogP13.09
Rot. Bonds11

About diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane

diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane (PubChem CID 134387581) has the molecular formula C60H42N2OP2 and a molecular weight of 868.96 g/mol. Its IUPAC name is diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane
PubChem CID134387581
Molecular FormulaC60H42N2OP2
Molecular Weight868.96 g/mol
Exact Mass868.28
IUPAC Namediphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane
SMILESc1ccc(-c2ccnc3c2ccc2c(-c4cccc(-c5ccc(P(c6ccccc6)c6ccccc6Oc6ccccc6P(c6ccccc6)c6ccccc6)cc5)c4)ccnc23)cc1
InChIInChI=1S/C60H42N2OP2/c1-5-18-44(19-6-1)51-38-40-61-59-53(51)36-37-54-52(39-41-62-60(54)59)46-21-17-20-45(42-46)43-32-34-50(35-33-43)65(49-26-11-4-12-27-49)58-31-16-14-29-56(58)63-55-28-13-15-30-57(55)64(47-22-7-2-8-23-47)48-24-9-3-10-25-48/h1-42H
InChIKeyUYTBGIAWKSWOKE-UHFFFAOYSA-N
XLogP13.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.96
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane (CID 134387581) is diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane is c1ccc(-c2ccnc3c2ccc2c(-c4cccc(-c5ccc(P(c6ccccc6)c6ccccc6Oc6ccccc6P(c6ccccc6)c6ccccc6)cc5)c4)ccnc23)cc1.
What is the InChIKey of diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane?
The InChIKey is UYTBGIAWKSWOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2OP2/c1-5-18-44(19-6-1)51-38-40-61-59-53(51)36-37-54-52(39-41-62-60(54)59)46-21-17-20-45(42-46)43-32-34-50(35-33-43)65(49-26-11-4-12-27-49)58-31-16-14-29-56(58)63-55-28-13-15-30-57(55)64(47-22-7-2-8-23-47)48-24-9-3-10-25-48/h1-42H.
What are the key properties of diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane?
diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane has a molecular weight of 868.96 g/mol, XLogP of 13.09, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[2-[phenyl-[4-[3-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]phosphanyl]phenoxy]phenyl]phosphane is sourced from PubChem (CID 134387581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).