2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline

C272H172N24 — CID 158767523

IUPAC2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccn6)n5)cc4)(c4ccc(-c5cccc(-c6ccccn6)n5)cc4)c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc3)n2)nc1.c1ccc2c(C(c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)(c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)ccc1ccc(-c3ccc(C(c4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)(c4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)c4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc(C(c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)(c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3)nc12
InChIInChI=1S/C77H48N4.C73H44N8.C65H44N8.C57H36N4/c1-5-13-65-49(9-1)17-21-57-33-45-69(78-73(57)65)53-25-37-61(38-26-53)77(62-39-27-54(28-40-62)70-46-34-58-22-18-50-10-2-6-14-66(50)74(58)79-70,63-41-29-55(30-42-63)71-47-35-59-23-19-51-11-3-7-15-67(51)75(59)80-71)64-43-31-56(32-44-64)72-48-36-60-24-20-52-12-4-8-16-68(52)76(60)81-72;1-5-49-9-13-53-25-37-61(78-69(53)65(49)74-41-1)45-17-29-57(30-18-45)73(58-31-19-46(20-32-58)62-38-26-54-14-10-50-6-2-42-75-66(50)70(54)79-62,59-33-21-47(22-34-59)63-39-27-55-15-11-51-7-3-43-76-67(51)71(55)80-63)60-35-23-48(24-36-60)64-40-28-56-16-12-52-8-4-44-77-68(52)72(56)81-64;1-5-41-66-57(13-1)61-21-9-17-53(70-61)45-25-33-49(34-26-45)65(50-35-27-46(28-36-50)54-18-10-22-62(71-54)58-14-2-6-42-67-58,51-37-29-47(30-38-51)55-19-11-23-63(72-55)59-15-3-7-43-68-59)52-39-31-48(32-40-52)56-20-12-24-64(73-56)60-16-4-8-44-69-60;1-3-15-47-37(9-1)11-5-17-49(47)57(50-18-6-12-38-10-2-4-16-48(38)50,45-29-23-39(24-30-45)51-33-27-43-21-19-41-13-7-35-58-53(41)55(43)60-51)46-31-25-40(26-32-46)52-34-28-44-22-20-42-14-8-36-59-54(42)56(44)61-52/h1-48H;1-44H;1-44H;1-36H
InChIKeyIPLHRCKOVBEXBN-UHFFFAOYSA-N
MW3776.54 g/mol
LogP65.13
Rot. Bonds34

About 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline

2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline (PubChem CID 158767523) has the molecular formula C272H172N24 and a molecular weight of 3776.54 g/mol. Its IUPAC name is 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline
PubChem CID158767523
Molecular FormulaC272H172N24
Molecular Weight3776.54 g/mol
Exact Mass3773.42
IUPAC Name2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccn6)n5)cc4)(c4ccc(-c5cccc(-c6ccccn6)n5)cc4)c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc3)n2)nc1.c1ccc2c(C(c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)(c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)ccc1ccc(-c3ccc(C(c4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)(c4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)c4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc(C(c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)(c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3)nc12
InChIInChI=1S/C77H48N4.C73H44N8.C65H44N8.C57H36N4/c1-5-13-65-49(9-1)17-21-57-33-45-69(78-73(57)65)53-25-37-61(38-26-53)77(62-39-27-54(28-40-62)70-46-34-58-22-18-50-10-2-6-14-66(50)74(58)79-70,63-41-29-55(30-42-63)71-47-35-59-23-19-51-11-3-7-15-67(51)75(59)80-71)64-43-31-56(32-44-64)72-48-36-60-24-20-52-12-4-8-16-68(52)76(60)81-72;1-5-49-9-13-53-25-37-61(78-69(53)65(49)74-41-1)45-17-29-57(30-18-45)73(58-31-19-46(20-32-58)62-38-26-54-14-10-50-6-2-42-75-66(50)70(54)79-62,59-33-21-47(22-34-59)63-39-27-55-15-11-51-7-3-43-76-67(51)71(55)80-63)60-35-23-48(24-36-60)64-40-28-56-16-12-52-8-4-44-77-68(52)72(56)81-64;1-5-41-66-57(13-1)61-21-9-17-53(70-61)45-25-33-49(34-26-45)65(50-35-27-46(28-36-50)54-18-10-22-62(71-54)58-14-2-6-42-67-58,51-37-29-47(30-38-51)55-19-11-23-63(72-55)59-15-3-7-43-68-59)52-39-31-48(32-40-52)56-20-12-24-64(73-56)60-16-4-8-44-69-60;1-3-15-47-37(9-1)11-5-17-49(47)57(50-18-6-12-38-10-2-4-16-48(38)50,45-29-23-39(24-30-45)51-33-27-43-21-19-41-13-7-35-58-53(41)55(43)60-51)46-31-25-40(26-32-46)52-34-28-44-22-20-42-14-8-36-59-54(42)56(44)61-52/h1-48H;1-44H;1-44H;1-36H
InChIKeyIPLHRCKOVBEXBN-UHFFFAOYSA-N
XLogP65.13
TPSA309.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003776.54
LogP ≤ 565.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 174201455
2-[6-(1,10-phenanthrolin-2-yl)-4-(4-pyridin-2-ylphenyl)-2-pyridinyl]-1,10-phenanthroline
CID 146474068
2-[4-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 88865382
2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165006532
2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044
6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 158047088
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
CID 138643771
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)-1,10-phenanthroline
CID 159902909

Frequently Asked Questions

What is the IUPAC name of 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline (CID 158767523) is 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline is c1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccn6)n5)cc4)(c4ccc(-c5cccc(-c6ccccn6)n5)cc4)c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc3)n2)nc1.c1ccc2c(C(c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)(c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)ccc1ccc(-c3ccc(C(c4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)(c4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)c4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc(C(c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)(c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3)nc12.
What is the InChIKey of 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline?
The InChIKey is IPLHRCKOVBEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H48N4.C73H44N8.C65H44N8.C57H36N4/c1-5-13-65-49(9-1)17-21-57-33-45-69(78-73(57)65)53-25-37-61(38-26-53)77(62-39-27-54(28-40-62)70-46-34-58-22-18-50-10-2-6-14-66(50)74(58)79-70,63-41-29-55(30-42-63)71-47-35-59-23-19-51-11-3-7-15-67(51)75(59)80-71)64-43-31-56(32-44-64)72-48-36-60-24-20-52-12-4-8-16-68(52)76(60)81-72;1-5-49-9-13-53-25-37-61(78-69(53)65(49)74-41-1)45-17-29-57(30-18-45)73(58-31-19-46(20-32-58)62-38-26-54-14-10-50-6-2-42-75-66(50)70(54)79-62,59-33-21-47(22-34-59)63-39-27-55-15-11-51-7-3-43-76-67(51)71(55)80-63)60-35-23-48(24-36-60)64-40-28-56-16-12-52-8-4-44-77-68(52)72(56)81-64;1-5-41-66-57(13-1)61-21-9-17-53(70-61)45-25-33-49(34-26-45)65(50-35-27-46(28-36-50)54-18-10-22-62(71-54)58-14-2-6-42-67-58,51-37-29-47(30-38-51)55-19-11-23-63(72-55)59-15-3-7-43-68-59)52-39-31-48(32-40-52)56-20-12-24-64(73-56)60-16-4-8-44-69-60;1-3-15-47-37(9-1)11-5-17-49(47)57(50-18-6-12-38-10-2-4-16-48(38)50,45-29-23-39(24-30-45)51-33-27-43-21-19-41-13-7-35-58-53(41)55(43)60-51)46-31-25-40(26-32-46)52-34-28-44-22-20-42-14-8-36-59-54(42)56(44)61-52/h1-48H;1-44H;1-44H;1-36H.
What are the key properties of 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline?
2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline has a molecular weight of 3776.54 g/mol, XLogP of 65.13, 34 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[dinaphthalen-1-yl-[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline;2-pyridin-2-yl-6-[4-[tris[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;2-[4-[tris(4-benzo[h]quinolin-2-ylphenyl)methyl]phenyl]benzo[h]quinoline;2-[4-[tris[4-(1,10-phenanthrolin-2-yl)phenyl]methyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 158767523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).