4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C191H153B2ClN6O4P4Pd — CID 160710132

IUPAC4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESC.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)c4ccccc34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)nc2c1ccc1cccnc12.[Pd].c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccc7)nc7c6ccc6cccnc67)cc5)c5ccccc45)cc3)c3ccc4cccnc4c3n2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C62H38N4.C38H40B2O4.C18H11ClN2.4C18H15P.CH4.Pd/c1-3-13-41(14-4-1)55-37-53(51-33-31-45-17-11-35-63-59(45)61(51)65-55)39-23-27-43(28-24-39)57-47-19-7-9-21-49(47)58(50-22-10-8-20-48(50)57)44-29-25-40(26-30-44)54-38-56(42-15-5-2-6-16-42)66-62-52(54)34-32-46-18-12-36-64-60(46)62;1-35(2)36(3,4)42-39(41-35)27-21-17-25(18-22-27)33-29-13-9-11-15-31(29)34(32-16-12-10-14-30(32)33)26-19-23-28(24-20-26)40-43-37(5,6)38(7,8)44-40;19-15-11-16(12-5-2-1-3-6-12)21-18-14(15)9-8-13-7-4-10-20-17(13)18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-38H;9-24H,1-8H3;1-11H;4*1-15H;1H4;
InChIKeyRRTBDZGOPLBUFR-UHFFFAOYSA-N
MW2883.76 g/mol
LogP43.63
Rot. Bonds23

About 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 160710132) has the molecular formula C191H153B2ClN6O4P4Pd and a molecular weight of 2883.76 g/mol. Its IUPAC name is 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
PubChem CID160710132
Molecular FormulaC191H153B2ClN6O4P4Pd
Molecular Weight2883.76 g/mol
Exact Mass2880.98
IUPAC Name4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESC.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)c4ccccc34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)nc2c1ccc1cccnc12.[Pd].c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccc7)nc7c6ccc6cccnc67)cc5)c5ccccc45)cc3)c3ccc4cccnc4c3n2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C62H38N4.C38H40B2O4.C18H11ClN2.4C18H15P.CH4.Pd/c1-3-13-41(14-4-1)55-37-53(51-33-31-45-17-11-35-63-59(45)61(51)65-55)39-23-27-43(28-24-39)57-47-19-7-9-21-49(47)58(50-22-10-8-20-48(50)57)44-29-25-40(26-30-44)54-38-56(42-15-5-2-6-16-42)66-62-52(54)34-32-46-18-12-36-64-60(46)62;1-35(2)36(3,4)42-39(41-35)27-21-17-25(18-22-27)33-29-13-9-11-15-31(29)34(32-16-12-10-14-30(32)33)26-19-23-28(24-20-26)40-43-37(5,6)38(7,8)44-40;19-15-11-16(12-5-2-1-3-6-12)21-18-14(15)9-8-13-7-4-10-20-17(13)18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-38H;9-24H,1-8H3;1-11H;4*1-15H;1H4;
InChIKeyRRTBDZGOPLBUFR-UHFFFAOYSA-N
XLogP43.63
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms209
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002883.76
LogP ≤ 543.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane
CID 162211861
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,10-phenanthroline
CID 58340445
4-bromo-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,10-phenanthroline
CID 162132774
4-phenyl-6-[4-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolin-6-yl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 58789449
4-phenyl-2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168213
4-chloro-2,6-dinaphthalen-2-ylquinoline;2,6-dinaphthalen-2-yl-4-(3-pyridin-3-ylphenyl)quinoline;methane;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 159015553
2-[4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 154660215
2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
CID 167110208
4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium
CID 161394772
2-[4-(4-bromonaphthalen-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;1,4-dibromonaphthalene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 163836148
4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 160846068

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The IUPAC name of 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 160710132) is 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).
What is the SMILES notation for 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The canonical SMILES for 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is C.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)c4ccccc34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)nc2c1ccc1cccnc12.[Pd].c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccc7)nc7c6ccc6cccnc67)cc5)c5ccccc45)cc3)c3ccc4cccnc4c3n2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The InChIKey is RRTBDZGOPLBUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4.C38H40B2O4.C18H11ClN2.4C18H15P.CH4.Pd/c1-3-13-41(14-4-1)55-37-53(51-33-31-45-17-11-35-63-59(45)61(51)65-55)39-23-27-43(28-24-39)57-47-19-7-9-21-49(47)58(50-22-10-8-20-48(50)57)44-29-25-40(26-30-44)54-38-56(42-15-5-2-6-16-42)66-62-52(54)34-32-46-18-12-36-64-60(46)62;1-35(2)36(3,4)42-39(41-35)27-21-17-25(18-22-27)33-29-13-9-11-15-31(29)34(32-16-12-10-14-30(32)33)26-19-23-28(24-20-26)40-43-37(5,6)38(7,8)44-40;19-15-11-16(12-5-2-1-3-6-12)21-18-14(15)9-8-13-7-4-10-20-17(13)18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-38H;9-24H,1-8H3;1-11H;4*1-15H;1H4;.
What are the key properties of 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 2883.76 g/mol, XLogP of 43.63, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 160710132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).