9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline

C138H94N16 — CID 158810780

IUPAC9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESCCc1ccc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccn7)n6)cc5)cc4)nc3c2n1.Cc1ccc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccc7)n6)cc5)cc4)nc3c2n1.Cc1ccc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccn7)n6)cc5)cc4)nc3c2n1
InChIInChI=1S/C47H33N5.C46H31N5.C45H30N6/c1-2-38-26-24-36-25-27-39-40(33-11-5-3-6-12-33)29-42(50-46(39)45(36)49-38)35-20-16-31(17-21-35)32-18-22-37(23-19-32)47-51-43(34-13-7-4-8-14-34)30-44(52-47)41-15-9-10-28-48-41;1-30-15-16-36-25-26-38-39(33-10-4-2-5-11-33)28-41(49-45(38)44(36)48-30)34-21-17-31(18-22-34)32-19-23-35(24-20-32)42-29-43(40-14-8-9-27-47-40)51-46(50-42)37-12-6-3-7-13-37;1-29-15-16-34-25-26-37-38(32-10-4-2-5-11-32)28-40(48-42(37)41(34)47-29)33-21-17-30(18-22-33)31-19-23-36(24-20-31)44-49-43(35-12-6-3-7-13-35)50-45(51-44)39-14-8-9-27-46-39/h3-30H,2H2,1H3;2-29H,1H3;2-28H,1H3
InChIKeyIUQUCMNBHWBUAB-UHFFFAOYSA-N
MW1976.38 g/mol
LogP33.48
Rot. Bonds19

About 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline

9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline (PubChem CID 158810780) has the molecular formula C138H94N16 and a molecular weight of 1976.38 g/mol. Its IUPAC name is 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
PubChem CID158810780
Molecular FormulaC138H94N16
Molecular Weight1976.38 g/mol
Exact Mass1974.78
IUPAC Name9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESCCc1ccc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccn7)n6)cc5)cc4)nc3c2n1.Cc1ccc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccc7)n6)cc5)cc4)nc3c2n1.Cc1ccc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccn7)n6)cc5)cc4)nc3c2n1
InChIInChI=1S/C47H33N5.C46H31N5.C45H30N6/c1-2-38-26-24-36-25-27-39-40(33-11-5-3-6-12-33)29-42(50-46(39)45(36)49-38)35-20-16-31(17-21-35)32-18-22-37(23-19-32)47-51-43(34-13-7-4-8-14-34)30-44(52-47)41-15-9-10-28-48-41;1-30-15-16-36-25-26-38-39(33-10-4-2-5-11-33)28-41(49-45(38)44(36)48-30)34-21-17-31(18-22-34)32-19-23-35(24-20-32)42-29-43(40-14-8-9-27-47-40)51-46(50-42)37-12-6-3-7-13-37;1-29-15-16-34-25-26-37-38(32-10-4-2-5-11-32)28-40(48-42(37)41(34)47-29)33-21-17-30(18-22-33)31-19-23-36(24-20-31)44-49-43(35-12-6-3-7-13-35)50-45(51-44)39-14-8-9-27-46-39/h3-30H,2H2,1H3;2-29H,1H3;2-28H,1H3
InChIKeyIUQUCMNBHWBUAB-UHFFFAOYSA-N
XLogP33.48
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001976.38
LogP ≤ 533.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline
CID 159373587
4,9-dimethyl-2-[4-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;4,9-dimethyl-2-[4-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 161299726
2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 158107550
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-methyl-4-phenyl-1,10-phenanthroline
CID 168818387
4-phenyl-2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168213
2,9-diphenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 168818398
2,9-bis(4-phenylphenyl)-4,7-bis(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 68745888
2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline
CID 160808209
4-ethyl-9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,10-phenanthroline;4-methyl-9-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline;4-methyl-9-phenyl-2-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline;4-methyl-9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 159181351
4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline
CID 171419102
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
4-[4-[4-[3,5-bis(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 155336923

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline?
The IUPAC name of 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline (CID 158810780) is 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline is CCc1ccc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccn7)n6)cc5)cc4)nc3c2n1.Cc1ccc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccc7)n6)cc5)cc4)nc3c2n1.Cc1ccc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccn7)n6)cc5)cc4)nc3c2n1.
What is the InChIKey of 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline?
The InChIKey is IUQUCMNBHWBUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5.C46H31N5.C45H30N6/c1-2-38-26-24-36-25-27-39-40(33-11-5-3-6-12-33)29-42(50-46(39)45(36)49-38)35-20-16-31(17-21-35)32-18-22-37(23-19-32)47-51-43(34-13-7-4-8-14-34)30-44(52-47)41-15-9-10-28-48-41;1-30-15-16-36-25-26-38-39(33-10-4-2-5-11-33)28-41(49-45(38)44(36)48-30)34-21-17-31(18-22-34)32-19-23-35(24-20-32)42-29-43(40-14-8-9-27-47-40)51-46(50-42)37-12-6-3-7-13-37;1-29-15-16-34-25-26-37-38(32-10-4-2-5-11-32)28-40(48-42(37)41(34)47-29)33-21-17-30(18-22-33)31-19-23-36(24-20-31)44-49-43(35-12-6-3-7-13-35)50-45(51-44)39-14-8-9-27-46-39/h3-30H,2H2,1H3;2-29H,1H3;2-28H,1H3.
What are the key properties of 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline?
9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 1976.38 g/mol, XLogP of 33.48, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 158810780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).