bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline

C272H176N12O6P6 — CID 157104263

IUPACbis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc43)c2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)ccc5ccc2c3c54)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)c5ccccc45)ccc4ccc1c2c43.O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc4ccc1c2c43
InChIInChI=1S/C52H33N2OP.C50H31N2OP.C46H29N2OP.C44H29N2OP.2C40H27N2OP/c55-56(41-9-3-1-4-10-41,42-11-5-2-6-12-42)43-26-19-35(20-27-43)45-29-22-38-23-30-46-44(28-21-37-24-31-47(45)50(38)49(37)46)34-13-15-36(16-14-34)48-32-25-40-18-17-39-8-7-33-53-51(39)52(40)54-48;53-54(36-11-3-1-4-12-36,37-13-5-2-6-14-37)46-30-23-33-20-25-43-41(24-19-32-21-26-44(46)48(33)47(32)43)40-27-28-42(39-16-8-7-15-38(39)40)45-29-22-35-18-17-34-10-9-31-51-49(34)50(35)52-45;49-50(36-9-3-1-4-10-36,37-11-5-2-6-12-37)42-28-23-33-20-25-39-38(24-19-32-21-26-40(42)44(33)43(32)39)30-13-15-31(16-14-30)41-27-22-35-18-17-34-8-7-29-47-45(34)46(35)48-41;47-48(37-9-3-1-4-10-37,38-11-5-2-6-12-38)39-22-17-30(18-23-39)33-19-24-40-34(28-33)15-16-35-29-36(20-25-41(35)40)42-26-21-32-14-13-31-8-7-27-45-43(31)44(32)46-42;2*43-44(34-11-3-1-4-12-34,35-13-5-2-6-14-35)36-23-19-29(20-24-36)37-25-21-30-16-17-31-22-26-38(42-40(31)39(30)41-37)33-18-15-28-9-7-8-10-32(28)27-33/h1-33H;1-31H;1-29H;1-29H;2*1-27H
InChIKeyAGCVGCWPLVGWFR-UHFFFAOYSA-N
MW3894.32 g/mol
LogP62.66
Rot. Bonds31

About bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline

bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline (PubChem CID 157104263) has the molecular formula C272H176N12O6P6 and a molecular weight of 3894.32 g/mol. Its IUPAC name is bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Namebis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
PubChem CID157104263
Molecular FormulaC272H176N12O6P6
Molecular Weight3894.32 g/mol
Exact Mass3891.23
IUPAC Namebis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc43)c2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)ccc5ccc2c3c54)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)c5ccccc45)ccc4ccc1c2c43.O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc4ccc1c2c43
InChIInChI=1S/C52H33N2OP.C50H31N2OP.C46H29N2OP.C44H29N2OP.2C40H27N2OP/c55-56(41-9-3-1-4-10-41,42-11-5-2-6-12-42)43-26-19-35(20-27-43)45-29-22-38-23-30-46-44(28-21-37-24-31-47(45)50(38)49(37)46)34-13-15-36(16-14-34)48-32-25-40-18-17-39-8-7-33-53-51(39)52(40)54-48;53-54(36-11-3-1-4-12-36,37-13-5-2-6-14-37)46-30-23-33-20-25-43-41(24-19-32-21-26-44(46)48(33)47(32)43)40-27-28-42(39-16-8-7-15-38(39)40)45-29-22-35-18-17-34-10-9-31-51-49(34)50(35)52-45;49-50(36-9-3-1-4-10-36,37-11-5-2-6-12-37)42-28-23-33-20-25-39-38(24-19-32-21-26-40(42)44(33)43(32)39)30-13-15-31(16-14-30)41-27-22-35-18-17-34-8-7-29-47-45(34)46(35)48-41;47-48(37-9-3-1-4-10-37,38-11-5-2-6-12-38)39-22-17-30(18-23-39)33-19-24-40-34(28-33)15-16-35-29-36(20-25-41(35)40)42-26-21-32-14-13-31-8-7-27-45-43(31)44(32)46-42;2*43-44(34-11-3-1-4-12-34,35-13-5-2-6-14-35)36-23-19-29(20-24-36)37-25-21-30-16-17-31-22-26-38(42-40(31)39(30)41-37)33-18-15-28-9-7-8-10-32(28)27-33/h1-33H;1-31H;1-29H;1-29H;2*1-27H
InChIKeyAGCVGCWPLVGWFR-UHFFFAOYSA-N
XLogP62.66
TPSA257.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003894.32
LogP ≤ 562.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline;2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
CID 159478084
2-[6-(6-diphenylphosphorylnaphthalen-2-yl)pyren-1-yl]-1,10-phenanthroline
CID 134470914
2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932
2-(6-diphenylphosphoryl-9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;2-[6-(4-diphenylphosphorylnaphthalen-1-yl)-9,10-diphenylanthracen-2-yl]-1,10-phenanthroline;2-[6-(4-diphenylphosphorylphenyl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-1,10-phenanthroline
CID 159461777
2-[5-(6-diphenylphosphorylpyren-1-yl)pyrimidin-2-yl]-1,10-phenanthroline
CID 134470966
2-bis(4-phenylphenyl)phosphoryl-1,10-phenanthroline;2-dinaphthalen-2-ylphosphoryl-1,10-phenanthroline;2-(10-diphenylphosphorylanthracen-9-yl)-1,10-phenanthroline;2-[4-(4-diphenylphosphorylnaphthalen-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-(4-diphenylphosphorylnaphthalen-1-yl)-1,10-phenanthroline;2-[4-(4-diphenylphosphorylnaphthalen-1-yl)phenyl]-1,10-phenanthroline;2-diphenylphosphoryl-1,10-phenanthroline;2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-1,10-phenanthroline;2-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]-1,10-phenanthroline;2-(4-diphenylphosphorylphenyl)-1,10-phenanthroline;2-diphenylphosphoryl-9-phenyl-1,10-phenanthroline
CID 158785308
2-[6-(2-diphenylphosphorylquinolin-6-yl)pyren-1-yl]-1,10-phenanthroline
CID 134470943
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 134470905
naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene
CID 174874632
2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
CID 134470904
2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline
CID 161271168
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline (CID 157104263) is bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc43)c2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)ccc5ccc2c3c54)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)c5ccccc45)ccc4ccc1c2c43.O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc4ccc1c2c43.
What is the InChIKey of bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline?
The InChIKey is AGCVGCWPLVGWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N2OP.C50H31N2OP.C46H29N2OP.C44H29N2OP.2C40H27N2OP/c55-56(41-9-3-1-4-10-41,42-11-5-2-6-12-42)43-26-19-35(20-27-43)45-29-22-38-23-30-46-44(28-21-37-24-31-47(45)50(38)49(37)46)34-13-15-36(16-14-34)48-32-25-40-18-17-39-8-7-33-53-51(39)52(40)54-48;53-54(36-11-3-1-4-12-36,37-13-5-2-6-14-37)46-30-23-33-20-25-43-41(24-19-32-21-26-44(46)48(33)47(32)43)40-27-28-42(39-16-8-7-15-38(39)40)45-29-22-35-18-17-34-10-9-31-51-49(34)50(35)52-45;49-50(36-9-3-1-4-10-36,37-11-5-2-6-12-37)42-28-23-33-20-25-39-38(24-19-32-21-26-40(42)44(33)43(32)39)30-13-15-31(16-14-30)41-27-22-35-18-17-34-8-7-29-47-45(34)46(35)48-41;47-48(37-9-3-1-4-10-37,38-11-5-2-6-12-38)39-22-17-30(18-23-39)33-19-24-40-34(28-33)15-16-35-29-36(20-25-41(35)40)42-26-21-32-14-13-31-8-7-27-45-43(31)44(32)46-42;2*43-44(34-11-3-1-4-12-34,35-13-5-2-6-14-35)36-23-19-29(20-24-36)37-25-21-30-16-17-31-22-26-38(42-40(31)39(30)41-37)33-18-15-28-9-7-8-10-32(28)27-33/h1-33H;1-31H;1-29H;1-29H;2*1-27H.
What are the key properties of bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline?
bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline has a molecular weight of 3894.32 g/mol, XLogP of 62.66, 31 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 157104263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).