2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline

C204H132N16 — CID 158498033

IUPAC2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccc6ccc(-c7ccccc7)nc6c5n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc6ccccc56)c5ccc6ccc(-c7cccc8ccccc78)nc6c5n4)cc3)c2)cc1.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3n2)cc1.c1ccc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)nc5c4n3)c2)cc1
InChIInChI=1S/C58H38N4.C55H35N3.C46H30N4.C45H29N5/c1-5-15-39(16-6-1)46-23-13-25-48(35-46)51-37-53(43-27-29-45(30-28-43)58-61-54(41-19-9-3-10-20-41)38-55(62-58)42-21-11-4-12-22-42)60-57-50(51)33-31-44-32-34-52(59-56(44)57)49-26-14-24-47(36-49)40-17-7-2-8-18-40;1-3-13-36(14-4-1)43-33-51(39-17-5-2-6-18-39)56-52(34-43)40-25-27-41(28-26-40)53-35-49(46-23-11-19-37-15-7-9-21-44(37)46)48-31-29-42-30-32-50(57-54(42)55(48)58-53)47-24-12-20-38-16-8-10-22-45(38)47;1-5-13-31(14-6-1)39-29-41(48-45-38(39)27-25-36-26-28-40(47-44(36)45)32-15-7-2-8-16-32)34-21-23-35(24-22-34)43-30-42(33-17-9-3-10-18-33)49-46(50-43)37-19-11-4-12-20-37;1-5-13-30(14-6-1)38-29-40(47-42-37(38)27-25-33-26-28-39(46-41(33)42)31-15-7-2-8-16-31)32-21-23-36(24-22-32)45-49-43(34-17-9-3-10-18-34)48-44(50-45)35-19-11-4-12-20-35/h1-38H;1-35H;1-30H;1-29H
InChIKeyHJNOLFGGALKTNE-UHFFFAOYSA-N
MW2807.41 g/mol
LogP51.94
Rot. Bonds26

About 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline

2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline (PubChem CID 158498033) has the molecular formula C204H132N16 and a molecular weight of 2807.41 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline
PubChem CID158498033
Molecular FormulaC204H132N16
Molecular Weight2807.41 g/mol
Exact Mass2805.08
IUPAC Name2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccc6ccc(-c7ccccc7)nc6c5n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc6ccccc56)c5ccc6ccc(-c7cccc8ccccc78)nc6c5n4)cc3)c2)cc1.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3n2)cc1.c1ccc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)nc5c4n3)c2)cc1
InChIInChI=1S/C58H38N4.C55H35N3.C46H30N4.C45H29N5/c1-5-15-39(16-6-1)46-23-13-25-48(35-46)51-37-53(43-27-29-45(30-28-43)58-61-54(41-19-9-3-10-20-41)38-55(62-58)42-21-11-4-12-22-42)60-57-50(51)33-31-44-32-34-52(59-56(44)57)49-26-14-24-47(36-49)40-17-7-2-8-18-40;1-3-13-36(14-4-1)43-33-51(39-17-5-2-6-18-39)56-52(34-43)40-25-27-41(28-26-40)53-35-49(46-23-11-19-37-15-7-9-21-44(37)46)48-31-29-42-30-32-50(57-54(42)55(48)58-53)47-24-12-20-38-16-8-10-22-45(38)47;1-5-13-31(14-6-1)39-29-41(48-45-38(39)27-25-36-26-28-40(47-44(36)45)32-15-7-2-8-16-32)34-21-23-35(24-22-34)43-30-42(33-17-9-3-10-18-33)49-46(50-43)37-19-11-4-12-20-37;1-5-13-30(14-6-1)38-29-40(47-42-37(38)27-25-33-26-28-39(46-41(33)42)31-15-7-2-8-16-31)32-21-23-36(24-22-32)45-49-43(34-17-9-3-10-18-34)48-44(50-45)35-19-11-4-12-20-35/h1-38H;1-35H;1-30H;1-29H
InChIKeyHJNOLFGGALKTNE-UHFFFAOYSA-N
XLogP51.94
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002807.41
LogP ≤ 551.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline with MolForge

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Related Compounds

2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
2,9-diphenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 168818398
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline
CID 134176196
2-[3-[5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 158729829
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725307
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 177076865
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 158744831
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792693

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline?
The IUPAC name of 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline (CID 158498033) is 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline?
The canonical SMILES for 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccc6ccc(-c7ccccc7)nc6c5n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc6ccccc56)c5ccc6ccc(-c7cccc8ccccc78)nc6c5n4)cc3)c2)cc1.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3n2)cc1.c1ccc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)nc5c4n3)c2)cc1.
What is the InChIKey of 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline?
The InChIKey is HJNOLFGGALKTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.C55H35N3.C46H30N4.C45H29N5/c1-5-15-39(16-6-1)46-23-13-25-48(35-46)51-37-53(43-27-29-45(30-28-43)58-61-54(41-19-9-3-10-20-41)38-55(62-58)42-21-11-4-12-22-42)60-57-50(51)33-31-44-32-34-52(59-56(44)57)49-26-14-24-47(36-49)40-17-7-2-8-18-40;1-3-13-36(14-4-1)43-33-51(39-17-5-2-6-18-39)56-52(34-43)40-25-27-41(28-26-40)53-35-49(46-23-11-19-37-15-7-9-21-44(37)46)48-31-29-42-30-32-50(57-54(42)55(48)58-53)47-24-12-20-38-16-8-10-22-45(38)47;1-5-13-31(14-6-1)39-29-41(48-45-38(39)27-25-36-26-28-40(47-44(36)45)32-15-7-2-8-16-32)34-21-23-35(24-22-34)43-30-42(33-17-9-3-10-18-33)49-46(50-43)37-19-11-4-12-20-37;1-5-13-30(14-6-1)38-29-40(47-42-37(38)27-25-33-26-28-39(46-41(33)42)31-15-7-2-8-16-31)32-21-23-36(24-22-32)45-49-43(34-17-9-3-10-18-34)48-44(50-45)35-19-11-4-12-20-35/h1-38H;1-35H;1-30H;1-29H.
What are the key properties of 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline?
2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline has a molecular weight of 2807.41 g/mol, XLogP of 51.94, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 158498033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).