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

C165H130BClN6O2P4Pd — CID 157499282

IUPAC4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane)
SMILESC.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)nc2c1ccc1cccnc12.[Pd].c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5cccnc5)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/C43H27N3.C31H28BNO2.C18H11ClN2.4C18H15P.CH4.Pd/c1-2-10-29(11-3-1)39-26-38(37-23-22-31-12-9-25-45-42(31)43(37)46-39)28-18-20-30(21-19-28)40-33-14-4-6-16-35(33)41(32-13-8-24-44-27-32)36-17-7-5-15-34(36)40;1-30(2)31(3,4)35-32(34-30)23-17-15-21(16-18-23)28-24-11-5-7-13-26(24)29(22-10-9-19-33-20-22)27-14-8-6-12-25(27)28;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;;/h1-27H;5-20H,1-4H3;1-11H;4*1-15H;1H4;
InChIKeyBYFDQTSNSDCXLX-UHFFFAOYSA-N
MW2505.48 g/mol
LogP37.69
Rot. Bonds20

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

4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane) (PubChem CID 157499282) has the molecular formula C165H130BClN6O2P4Pd and a molecular weight of 2505.48 g/mol. Its IUPAC name is 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane)
PubChem CID157499282
Molecular FormulaC165H130BClN6O2P4Pd
Molecular Weight2505.48 g/mol
Exact Mass2502.80
IUPAC Name4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane)
SMILESC.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)nc2c1ccc1cccnc12.[Pd].c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5cccnc5)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/C43H27N3.C31H28BNO2.C18H11ClN2.4C18H15P.CH4.Pd/c1-2-10-29(11-3-1)39-26-38(37-23-22-31-12-9-25-45-42(31)43(37)46-39)28-18-20-30(21-19-28)40-33-14-4-6-16-35(33)41(32-13-8-24-44-27-32)36-17-7-5-15-34(36)40;1-30(2)31(3,4)35-32(34-30)23-17-15-21(16-18-23)28-24-11-5-7-13-26(24)29(22-10-9-19-33-20-22)27-14-8-6-12-25(27)28;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;;/h1-27H;5-20H,1-4H3;1-11H;4*1-15H;1H4;
InChIKeyBYFDQTSNSDCXLX-UHFFFAOYSA-N
XLogP37.69
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002505.48
LogP ≤ 537.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]phenanthren-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[8-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-1,10-phenanthrolin-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[9-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-1,10-phenanthrolin-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[8-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-1,10-phenanthrolin-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[9-[methylidene-(3-methylphenyl)-(4-methylphenyl)-lambda5-phosphanyl]-1,10-phenanthrolin-2-yl]-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 162121578
2,9-Bis[3-chloro-5-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 118422720
[3-[9-[3-Diphenylphosphanyl-5-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]-5-(1,10-phenanthrolin-2-yl)phenyl]-diphenylphosphane
CID 118445509
2,9-Bis[3-diphenylphosphoryl-5-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 118445510
2,9-Bis[3-diethylphosphoryl-5-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 118445514
2-[3-Chloro-5-(1,10-phenanthrolin-2-yl)phenyl]-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 118445518
2-[3'-(Dibenzo[f,h]quinoxalin-2-yl)-1,1'-biphenyl-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123576558
2-[1,10-Phenanthrolin-2-yl(triphenylen-2-yl)phosphoryl]-1,10-phenanthroline
CID 124183892
2-[1,10-Phenanthrolin-2-yl(triphenylen-1-yl)phosphoryl]-1,10-phenanthroline
CID 124183914
2-[21-Pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl(1,10-phenanthrolin-2-yl)phosphoryl]-1,10-phenanthroline
CID 124183960
2-[1,10-Phenanthrolin-2-yl-(14-phenylbenzo[b]triphenylen-9-yl)phosphoryl]-1,10-phenanthroline
CID 124183970
2-[Benzo[b]triphenylen-9-yl(1,10-phenanthrolin-2-yl)phosphoryl]-1,10-phenanthroline
CID 124183971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane)?
The IUPAC name of 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane) (CID 157499282) is 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane).
What is the SMILES notation for 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane)?
The canonical SMILES for 4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane) is C.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)nc2c1ccc1cccnc12.[Pd].c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5cccnc5)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-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane)?
The InChIKey is BYFDQTSNSDCXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3.C31H28BNO2.C18H11ClN2.4C18H15P.CH4.Pd/c1-2-10-29(11-3-1)39-26-38(37-23-22-31-12-9-25-45-42(31)43(37)46-39)28-18-20-30(21-19-28)40-33-14-4-6-16-35(33)41(32-13-8-24-44-27-32)36-17-7-5-15-34(36)40;1-30(2)31(3,4)35-32(34-30)23-17-15-21(16-18-23)28-24-11-5-7-13-26(24)29(22-10-9-19-33-20-22)27-14-8-6-12-25(27)28;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;;/h1-27H;5-20H,1-4H3;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-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane)?
4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane) has a molecular weight of 2505.48 g/mol, XLogP of 37.69, 20 rotatable bonds, 0 hydrogen bond donors, and 8 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-pyridin-3-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;3-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]pyridine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157499282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).