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

C216H140N16 — CID 159863187

IUPAC2-[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
SMILESc1ccc(-c2cc(-c3ccc4cc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)ccc4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5cc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)ccc5c4)n3)cc2)cc1
InChIInChI=1S/C58H38N4.C56H36N4.C52H34N4.C50H32N4/c1-4-11-39(12-5-1)40-25-31-49(32-26-40)58-61-54(45-15-8-3-9-16-45)38-55(62-58)46-27-23-42(24-28-46)41-19-21-43(22-20-41)50-17-10-18-51(37-50)53-36-34-48-30-29-47-33-35-52(44-13-6-2-7-14-44)59-56(47)57(48)60-53;1-4-11-37(12-5-1)38-19-23-43(24-20-38)56-59-52(40-15-8-3-9-16-40)36-53(60-56)49-28-27-46-33-45(25-26-47(46)35-49)44-17-10-18-48(34-44)51-32-30-42-22-21-41-29-31-50(39-13-6-2-7-14-39)57-54(41)55(42)58-51;1-4-11-35(12-5-1)36-21-27-43(28-22-36)52-55-48(39-15-8-3-9-16-39)34-49(56-52)40-23-19-37(20-24-40)44-17-10-18-45(33-44)47-32-30-42-26-25-41-29-31-46(38-13-6-2-7-14-38)53-50(41)51(42)54-47;1-4-11-33(12-5-1)44-27-25-35-19-20-36-26-28-45(52-49(36)48(35)51-44)42-18-10-17-38(30-42)39-21-22-41-31-43(24-23-40(41)29-39)47-32-46(34-13-6-2-7-14-34)53-50(54-47)37-15-8-3-9-16-37/h1-38H;1-36H;1-34H;1-32H
InChIKeyNRKDYHINOZAGNL-UHFFFAOYSA-N
MW2959.61 g/mol
LogP55.27
Rot. Bonds28

About 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

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 (PubChem CID 159863187) has the molecular formula C216H140N16 and a molecular weight of 2959.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159863187
Molecular FormulaC216H140N16
Molecular Weight2959.61 g/mol
Exact Mass2957.14
IUPAC Name2-[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
SMILESc1ccc(-c2cc(-c3ccc4cc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)ccc4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5cc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)ccc5c4)n3)cc2)cc1
InChIInChI=1S/C58H38N4.C56H36N4.C52H34N4.C50H32N4/c1-4-11-39(12-5-1)40-25-31-49(32-26-40)58-61-54(45-15-8-3-9-16-45)38-55(62-58)46-27-23-42(24-28-46)41-19-21-43(22-20-41)50-17-10-18-51(37-50)53-36-34-48-30-29-47-33-35-52(44-13-6-2-7-14-44)59-56(47)57(48)60-53;1-4-11-37(12-5-1)38-19-23-43(24-20-38)56-59-52(40-15-8-3-9-16-40)36-53(60-56)49-28-27-46-33-45(25-26-47(46)35-49)44-17-10-18-48(34-44)51-32-30-42-22-21-41-29-31-50(39-13-6-2-7-14-39)57-54(41)55(42)58-51;1-4-11-35(12-5-1)36-21-27-43(28-22-36)52-55-48(39-15-8-3-9-16-39)34-49(56-52)40-23-19-37(20-24-40)44-17-10-18-45(33-44)47-32-30-42-26-25-41-29-31-46(38-13-6-2-7-14-38)53-50(41)51(42)54-47;1-4-11-33(12-5-1)44-27-25-35-19-20-36-26-28-45(52-49(36)48(35)51-44)42-18-10-17-38(30-42)39-21-22-41-31-43(24-23-40(41)29-39)47-32-46(34-13-6-2-7-14-34)53-50(54-47)37-15-8-3-9-16-37/h1-38H;1-36H;1-34H;1-32H
InChIKeyNRKDYHINOZAGNL-UHFFFAOYSA-N
XLogP55.27
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002959.61
LogP ≤ 555.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725307
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
2-phenyl-9-[4-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 134596728
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-[3-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]-9-(4-naphthalen-2-ylphenyl)-1,10-phenanthroline
CID 134167649
2-[4-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121258095
2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc4cc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)ccc4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5cc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)ccc5c4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is NRKDYHINOZAGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.C56H36N4.C52H34N4.C50H32N4/c1-4-11-39(12-5-1)40-25-31-49(32-26-40)58-61-54(45-15-8-3-9-16-45)38-55(62-58)46-27-23-42(24-28-46)41-19-21-43(22-20-41)50-17-10-18-51(37-50)53-36-34-48-30-29-47-33-35-52(44-13-6-2-7-14-44)59-56(47)57(48)60-53;1-4-11-37(12-5-1)38-19-23-43(24-20-38)56-59-52(40-15-8-3-9-16-40)36-53(60-56)49-28-27-46-33-45(25-26-47(46)35-49)44-17-10-18-48(34-44)51-32-30-42-22-21-41-29-31-50(39-13-6-2-7-14-39)57-54(41)55(42)58-51;1-4-11-35(12-5-1)36-21-27-43(28-22-36)52-55-48(39-15-8-3-9-16-39)34-49(56-52)40-23-19-37(20-24-40)44-17-10-18-45(33-44)47-32-30-42-26-25-41-29-31-46(38-13-6-2-7-14-38)53-50(41)51(42)54-47;1-4-11-33(12-5-1)44-27-25-35-19-20-36-26-28-45(52-49(36)48(35)51-44)42-18-10-17-38(30-42)39-21-22-41-31-43(24-23-40(41)29-39)47-32-46(34-13-6-2-7-14-34)53-50(54-47)37-15-8-3-9-16-37/h1-38H;1-36H;1-34H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 2959.61 g/mol, XLogP of 55.27, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159863187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).