[2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane

C199H149N5O4P10S6 — CID 159710218

About [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane

[2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 159710218) has the molecular formula C199H149N5O4P10S6 and a molecular weight of 3176.55 g/mol. Its IUPAC name is [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

• Compound Name: [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
• PubChem CID: 159710218
• Molecular Formula: C199H149N5O4P10S6
• Molecular Weight: 3176.55 g/mol
• Exact Mass: 3173.73
• IUPAC Name: [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ncc(-c3ccccc3)cn2)c(P(=O)(c2ccccc2)c2ccccc2)c1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=S)(c2ccccc2)c2ccccc2)c1.S=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccncc2-c2ccccc2)c(P(=S)(c2ccccc2)c2ccccc2)c1.S=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2P(=S)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=S)(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C59H44NO2P3S.C59H44NP3S3.C41H31NP2S2.C40H30N2O2P2/c61-63(46-25-7-1-8-26-46,47-27-9-2-10-28-47)57-40-22-19-37-52(57)45-43-55(53-38-20-23-41-58(53)64(62,48-29-11-3-12-30-48)49-31-13-4-14-32-49)60-56(44-45)54-39-21-24-42-59(54)65(66,50-33-15-5-16-34-50)51-35-17-6-18-36-51;64-61(46-25-7-1-8-26-46,47-27-9-2-10-28-47)57-40-22-19-37-52(57)45-43-55(53-38-20-23-41-58(53)62(65,48-29-11-3-12-30-48)49-31-13-4-14-32-49)60-56(44-45)54-39-21-24-42-59(54)63(66,50-33-15-5-16-34-50)51-35-17-6-18-36-51;45-43(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-27-39(38-28-29-42-31-40(38)32-16-6-1-7-17-32)41(30-37)44(46,35-22-12-4-13-23-35)36-24-14-5-15-25-36;43-45(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-27-38(40-41-29-32(30-42-40)31-16-6-1-7-17-31)39(28-37)46(44,35-22-12-4-13-23-35)36-24-14-5-15-25-36/h2*1-44H;1-31H;1-30H
• InChIKey: MYSXPKBRBXCZJQ-UHFFFAOYSA-N
• XLogP: 37.48
• TPSA: 132.73 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 40
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3176.55
LogP ≤ 5	37.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?

The IUPAC name of [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 159710218) is [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane.

What is the SMILES notation for [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?

The canonical SMILES for [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ncc(-c3ccccc3)cn2)c(P(=O)(c2ccccc2)c2ccccc2)c1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=S)(c2ccccc2)c2ccccc2)c1.S=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccncc2-c2ccccc2)c(P(=S)(c2ccccc2)c2ccccc2)c1.S=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2P(=S)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=S)(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?

The InChIKey is MYSXPKBRBXCZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44NO2P3S.C59H44NP3S3.C41H31NP2S2.C40H30N2O2P2/c61-63(46-25-7-1-8-26-46,47-27-9-2-10-28-47)57-40-22-19-37-52(57)45-43-55(53-38-20-23-41-58(53)64(62,48-29-11-3-12-30-48)49-31-13-4-14-32-49)60-56(44-45)54-39-21-24-42-59(54)65(66,50-33-15-5-16-34-50)51-35-17-6-18-36-51;64-61(46-25-7-1-8-26-46,47-27-9-2-10-28-47)57-40-22-19-37-52(57)45-43-55(53-38-20-23-41-58(53)62(65,48-29-11-3-12-30-48)49-31-13-4-14-32-49)60-56(44-45)54-39-21-24-42-59(54)63(66,50-33-15-5-16-34-50)51-35-17-6-18-36-51;45-43(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-27-39(38-28-29-42-31-40(38)32-16-6-1-7-17-32)41(30-37)44(46,35-22-12-4-13-23-35)36-24-14-5-15-25-36;43-45(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-27-38(40-41-29-32(30-42-40)31-16-6-1-7-17-31)39(28-37)46(44,35-22-12-4-13-23-35)36-24-14-5-15-25-36/h2*1-44H;1-31H;1-30H.

What are the key properties of [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?

[2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 3176.55 g/mol, XLogP of 37.48, 40 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 159710218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).