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

C188H129N17 — CID 159181351

IUPAC4-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
SMILESCCc1cc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.Cc1cc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.Cc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.Cc1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12
InChIInChI=1S/C48H34N4.2C47H32N4.C46H31N5/c1-2-32-30-43(50-47-41(32)28-26-39-27-29-42(49-46(39)47)35-14-8-4-9-15-35)37-22-24-40(25-23-37)48-51-44(36-16-10-5-11-17-36)31-45(52-48)38-20-18-34(19-21-38)33-12-6-3-7-13-33;1-31-29-42(49-46-40(31)27-25-38-26-28-41(48-45(38)46)34-13-7-3-8-14-34)36-19-21-37(22-20-36)44-30-43(35-15-9-4-10-16-35)50-47(51-44)39-23-17-33(18-24-39)32-11-5-2-6-12-32;1-31-29-42(49-46-40(31)27-25-38-26-28-41(48-45(38)46)34-13-7-3-8-14-34)35-21-23-37(24-22-35)44-30-43(50-47(51-44)39-15-9-4-10-16-39)36-19-17-33(18-20-36)32-11-5-2-6-12-32;1-30-29-41(48-43-39(30)27-25-35-26-28-40(47-42(35)43)33-13-7-3-8-14-33)34-19-23-38(24-20-34)46-50-44(36-15-9-4-10-16-36)49-45(51-46)37-21-17-32(18-22-37)31-11-5-2-6-12-31/h3-31H,2H2,1H3;2*2-30H,1H3;2-29H,1H3
InChIKeyKMXXGNVGHHLWHG-UHFFFAOYSA-N
MW2626.22 g/mol
LogP47.18
Rot. Bonds25

About 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

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 (PubChem CID 159181351) has the molecular formula C188H129N17 and a molecular weight of 2626.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159181351
Molecular FormulaC188H129N17
Molecular Weight2626.22 g/mol
Exact Mass2624.06
IUPAC Name4-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
SMILESCCc1cc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.Cc1cc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.Cc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.Cc1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12
InChIInChI=1S/C48H34N4.2C47H32N4.C46H31N5/c1-2-32-30-43(50-47-41(32)28-26-39-27-29-42(49-46(39)47)35-14-8-4-9-15-35)37-22-24-40(25-23-37)48-51-44(36-16-10-5-11-17-36)31-45(52-48)38-20-18-34(19-21-38)33-12-6-3-7-13-33;1-31-29-42(49-46-40(31)27-25-38-26-28-41(48-45(38)46)34-13-7-3-8-14-34)36-19-21-37(22-20-36)44-30-43(35-15-9-4-10-16-35)50-47(51-44)39-23-17-33(18-24-39)32-11-5-2-6-12-32;1-31-29-42(49-46-40(31)27-25-38-26-28-41(48-45(38)46)34-13-7-3-8-14-34)35-21-23-37(24-22-35)44-30-43(50-47(51-44)39-15-9-4-10-16-39)36-19-17-33(18-20-36)32-11-5-2-6-12-32;1-30-29-41(48-43-39(30)27-25-35-26-28-40(47-42(35)43)33-13-7-3-8-14-33)34-19-23-38(24-20-34)46-50-44(36-15-9-4-10-16-36)49-45(51-46)37-21-17-32(18-22-37)31-11-5-2-6-12-31/h3-31H,2H2,1H3;2*2-30H,1H3;2-29H,1H3
InChIKeyKMXXGNVGHHLWHG-UHFFFAOYSA-N
XLogP47.18
TPSA219.13 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002626.22
LogP ≤ 547.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline
CID 162010579
2-phenyl-9-[4-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 134596728
2,9-diphenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 168818398
2-phenyl-9-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 134596769
4-ethyl-2-methyl-9-[4-[3-[4-phenyl-6-(3-quinolin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline;9-[3-[4-[2-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline
CID 161364700
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-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725307
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4,9-dimethyl-1,10-phenanthroline;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,9-dimethyl-1,10-phenanthroline;2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-methyl-4-propan-2-yl-1,10-phenanthroline
CID 157120147
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
9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline
CID 160595212
2-[3-[6-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-[6-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 159863187

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.Cc1cc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.Cc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.Cc1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)nc2c1ccc1ccc(-c3ccccc3)nc12.
What is the InChIKey of 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?
The InChIKey is KMXXGNVGHHLWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4.2C47H32N4.C46H31N5/c1-2-32-30-43(50-47-41(32)28-26-39-27-29-42(49-46(39)47)35-14-8-4-9-15-35)37-22-24-40(25-23-37)48-51-44(36-16-10-5-11-17-36)31-45(52-48)38-20-18-34(19-21-38)33-12-6-3-7-13-33;1-31-29-42(49-46-40(31)27-25-38-26-28-41(48-45(38)46)34-13-7-3-8-14-34)36-19-21-37(22-20-36)44-30-43(35-15-9-4-10-16-35)50-47(51-44)39-23-17-33(18-24-39)32-11-5-2-6-12-32;1-31-29-42(49-46-40(31)27-25-38-26-28-41(48-45(38)46)34-13-7-3-8-14-34)35-21-23-37(24-22-35)44-30-43(50-47(51-44)39-15-9-4-10-16-39)36-19-17-33(18-20-36)32-11-5-2-6-12-32;1-30-29-41(48-43-39(30)27-25-35-26-28-40(47-42(35)43)33-13-7-3-8-14-33)34-19-23-38(24-20-34)46-50-44(36-15-9-4-10-16-36)49-45(51-46)37-21-17-32(18-22-37)31-11-5-2-6-12-31/h3-31H,2H2,1H3;2*2-30H,1H3;2-29H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2626.22 g/mol, XLogP of 47.18, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159181351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).