2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline

C448H280N20 — CID 167682201

IUPAC2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline
SMILESN#Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)cc4)nc3c2n1.c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)nc(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc6c(-c7ccccc7)c(-c7ccccc7)c7cccnc7c6n5)cc4)ccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccn9)nc8c7n6)c5)ccc34)cc2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cnc3c(-c4ccccc4)c(-c4ccccc4)c4ccc(-c5cccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)c5)nc4c3n2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)ccc34)ccc2c1
InChIInChI=1S/2C61H39N3.C58H36N2.C57H35N3.C56H36N2.2C52H32N2.C51H31N3/c1-6-19-40(20-7-1)54-39-62-60-58(44-27-14-5-15-28-44)57(43-25-12-4-13-26-43)51-35-36-53(63-59(51)61(60)64-54)47-30-18-29-45(37-47)46-33-34-50-52(38-46)56(42-23-10-3-11-24-42)49-32-17-16-31-48(49)55(50)41-21-8-2-9-22-41;1-3-12-40(13-4-1)42-21-25-44(26-22-42)58-51-18-7-8-19-52(51)59(45-27-23-43(24-28-45)41-14-5-2-6-15-41)54-39-49(31-34-53(54)58)48-16-11-17-50(38-48)55-35-32-46-29-30-47-33-36-57(56-20-9-10-37-62-56)64-61(47)60(46)63-55;1-2-12-40(13-3-1)53-32-29-42-24-25-43-30-33-54(60-58(43)57(42)59-53)41-22-18-39(19-23-41)46-28-31-51-52(36-46)56(48-27-21-38-11-5-7-15-45(38)35-48)50-17-9-8-16-49(50)55(51)47-26-20-37-10-4-6-14-44(37)34-47;58-36-44-30-32-48-54(41-19-9-3-10-20-41)55(42-21-11-4-12-22-42)49-33-34-51(60-57(49)56(48)59-44)38-27-25-37(26-28-38)43-29-31-47-50(35-43)53(40-17-7-2-8-18-40)46-24-14-13-23-45(46)52(47)39-15-5-1-6-16-39;1-5-16-39(17-6-1)51-44-24-13-14-25-45(44)52(40-18-7-2-8-19-40)49-36-43(31-32-46(49)51)37-27-29-38(30-28-37)50-34-33-48-54(42-22-11-4-12-23-42)53(41-20-9-3-10-21-41)47-26-15-35-57-55(47)56(48)58-50;1-3-11-37-30-42(22-18-33(37)9-1)49-44-16-5-6-17-45(44)50(43-23-19-34-10-2-4-12-38(34)31-43)47-32-40(24-26-46(47)49)39-13-7-14-41(29-39)48-27-25-36-21-20-35-15-8-28-53-51(35)52(36)54-48;1-3-10-39-30-42(23-17-33(39)8-1)49-44-13-5-6-14-45(44)50(43-24-18-34-9-2-4-11-40(34)31-43)47-32-41(25-27-46(47)49)35-15-19-36(20-16-35)48-28-26-38-22-21-37-12-7-29-53-51(37)52(38)54-48;1-3-11-36-29-39(22-18-32(36)9-1)48-41-14-5-6-15-42(41)49(40-23-19-33-10-2-4-12-37(33)30-40)44-31-38(24-26-43(44)48)45-16-7-17-46(53-45)47-27-25-35-21-20-34-13-8-28-52-50(34)51(35)54-47/h2*1-39H;1-36H;1-35H;1-36H;2*1-32H;1-31H
InChIKeyVRXWTSOTAVSUPY-UHFFFAOYSA-N
MW5943.31 g/mol
LogP119.68
Rot. Bonds43

About 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline

2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline (PubChem CID 167682201) has the molecular formula C448H280N20 and a molecular weight of 5943.31 g/mol. Its IUPAC name is 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline.

Molecular Properties

Compound Name2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline
PubChem CID167682201
Molecular FormulaC448H280N20
Molecular Weight5943.31 g/mol
Exact Mass5938.25
IUPAC Name2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline
SMILESN#Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)cc4)nc3c2n1.c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)nc(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc6c(-c7ccccc7)c(-c7ccccc7)c7cccnc7c6n5)cc4)ccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccn9)nc8c7n6)c5)ccc34)cc2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cnc3c(-c4ccccc4)c(-c4ccccc4)c4ccc(-c5cccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)c5)nc4c3n2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)ccc34)ccc2c1
InChIInChI=1S/2C61H39N3.C58H36N2.C57H35N3.C56H36N2.2C52H32N2.C51H31N3/c1-6-19-40(20-7-1)54-39-62-60-58(44-27-14-5-15-28-44)57(43-25-12-4-13-26-43)51-35-36-53(63-59(51)61(60)64-54)47-30-18-29-45(37-47)46-33-34-50-52(38-46)56(42-23-10-3-11-24-42)49-32-17-16-31-48(49)55(50)41-21-8-2-9-22-41;1-3-12-40(13-4-1)42-21-25-44(26-22-42)58-51-18-7-8-19-52(51)59(45-27-23-43(24-28-45)41-14-5-2-6-15-41)54-39-49(31-34-53(54)58)48-16-11-17-50(38-48)55-35-32-46-29-30-47-33-36-57(56-20-9-10-37-62-56)64-61(47)60(46)63-55;1-2-12-40(13-3-1)53-32-29-42-24-25-43-30-33-54(60-58(43)57(42)59-53)41-22-18-39(19-23-41)46-28-31-51-52(36-46)56(48-27-21-38-11-5-7-15-45(38)35-48)50-17-9-8-16-49(50)55(51)47-26-20-37-10-4-6-14-44(37)34-47;58-36-44-30-32-48-54(41-19-9-3-10-20-41)55(42-21-11-4-12-22-42)49-33-34-51(60-57(49)56(48)59-44)38-27-25-37(26-28-38)43-29-31-47-50(35-43)53(40-17-7-2-8-18-40)46-24-14-13-23-45(46)52(47)39-15-5-1-6-16-39;1-5-16-39(17-6-1)51-44-24-13-14-25-45(44)52(40-18-7-2-8-19-40)49-36-43(31-32-46(49)51)37-27-29-38(30-28-37)50-34-33-48-54(42-22-11-4-12-23-42)53(41-20-9-3-10-21-41)47-26-15-35-57-55(47)56(48)58-50;1-3-11-37-30-42(22-18-33(37)9-1)49-44-16-5-6-17-45(44)50(43-23-19-34-10-2-4-12-38(34)31-43)47-32-40(24-26-46(47)49)39-13-7-14-41(29-39)48-27-25-36-21-20-35-15-8-28-53-51(35)52(36)54-48;1-3-10-39-30-42(23-17-33(39)8-1)49-44-13-5-6-14-45(44)50(43-24-18-34-9-2-4-11-40(34)31-43)47-32-41(25-27-46(47)49)35-15-19-36(20-16-35)48-28-26-38-22-21-37-12-7-29-53-51(37)52(38)54-48;1-3-11-36-29-39(22-18-32(36)9-1)48-41-14-5-6-15-42(41)49(40-23-19-33-10-2-4-12-37(33)30-40)44-31-38(24-26-43(44)48)45-16-7-17-46(53-45)47-27-25-35-21-20-34-13-8-28-52-50(34)51(35)54-47/h2*1-39H;1-36H;1-35H;1-36H;2*1-32H;1-31H
InChIKeyVRXWTSOTAVSUPY-UHFFFAOYSA-N
XLogP119.68
TPSA268.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds43
Heavy Atoms468
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005943.31
LogP ≤ 5119.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline with MolForge

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Related Compounds

2-anthracen-2-yl-1,10-phenanthroline;5-anthracen-2-yl-1,10-phenanthroline;2-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;5-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline
CID 159482909
2-phenyl-7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline;7-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158595333
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline
CID 139407490
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
5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 59307376
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,9-dimethyl-6-phenyl-1,10-phenanthroline;[2-[3-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-6-methoxy-9-phenyl-1,10-phenanthrolin-5-yl]methanol;5-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline;5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2,6,9-triphenyl-1,10-phenanthroline
CID 160952368
7-naphthalen-2-yl-2-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 139445804
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
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-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
CID 134559802

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline?
The IUPAC name of 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline (CID 167682201) is 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline.
What is the SMILES notation for 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline?
The canonical SMILES for 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline is N#Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)cc4)nc3c2n1.c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)nc(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc6c(-c7ccccc7)c(-c7ccccc7)c7cccnc7c6n5)cc4)ccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccn9)nc8c7n6)c5)ccc34)cc2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cnc3c(-c4ccccc4)c(-c4ccccc4)c4ccc(-c5cccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)c5)nc4c3n2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)ccc34)ccc2c1.
What is the InChIKey of 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline?
The InChIKey is VRXWTSOTAVSUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H39N3.C58H36N2.C57H35N3.C56H36N2.2C52H32N2.C51H31N3/c1-6-19-40(20-7-1)54-39-62-60-58(44-27-14-5-15-28-44)57(43-25-12-4-13-26-43)51-35-36-53(63-59(51)61(60)64-54)47-30-18-29-45(37-47)46-33-34-50-52(38-46)56(42-23-10-3-11-24-42)49-32-17-16-31-48(49)55(50)41-21-8-2-9-22-41;1-3-12-40(13-4-1)42-21-25-44(26-22-42)58-51-18-7-8-19-52(51)59(45-27-23-43(24-28-45)41-14-5-2-6-15-41)54-39-49(31-34-53(54)58)48-16-11-17-50(38-48)55-35-32-46-29-30-47-33-36-57(56-20-9-10-37-62-56)64-61(47)60(46)63-55;1-2-12-40(13-3-1)53-32-29-42-24-25-43-30-33-54(60-58(43)57(42)59-53)41-22-18-39(19-23-41)46-28-31-51-52(36-46)56(48-27-21-38-11-5-7-15-45(38)35-48)50-17-9-8-16-49(50)55(51)47-26-20-37-10-4-6-14-44(37)34-47;58-36-44-30-32-48-54(41-19-9-3-10-20-41)55(42-21-11-4-12-22-42)49-33-34-51(60-57(49)56(48)59-44)38-27-25-37(26-28-38)43-29-31-47-50(35-43)53(40-17-7-2-8-18-40)46-24-14-13-23-45(46)52(47)39-15-5-1-6-16-39;1-5-16-39(17-6-1)51-44-24-13-14-25-45(44)52(40-18-7-2-8-19-40)49-36-43(31-32-46(49)51)37-27-29-38(30-28-37)50-34-33-48-54(42-22-11-4-12-23-42)53(41-20-9-3-10-21-41)47-26-15-35-57-55(47)56(48)58-50;1-3-11-37-30-42(22-18-33(37)9-1)49-44-16-5-6-17-45(44)50(43-23-19-34-10-2-4-12-38(34)31-43)47-32-40(24-26-46(47)49)39-13-7-14-41(29-39)48-27-25-36-21-20-35-15-8-28-53-51(35)52(36)54-48;1-3-10-39-30-42(23-17-33(39)8-1)49-44-13-5-6-14-45(44)50(43-24-18-34-9-2-4-11-40(34)31-43)47-32-41(25-27-46(47)49)35-15-19-36(20-16-35)48-28-26-38-22-21-37-12-7-29-53-51(37)52(38)54-48;1-3-11-36-29-39(22-18-32(36)9-1)48-41-14-5-6-15-42(41)49(40-23-19-33-10-2-4-12-37(33)30-40)44-31-38(24-26-43(44)48)45-16-7-17-46(53-45)47-27-25-35-21-20-34-13-8-28-52-50(34)51(35)54-47/h2*1-39H;1-36H;1-35H;1-36H;2*1-32H;1-31H.
What are the key properties of 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline?
2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline has a molecular weight of 5943.31 g/mol, XLogP of 119.68, 43 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9,10-bis(4-phenylphenyl)anthracen-2-yl]phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,10-phenanthroline;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,10-phenanthroline;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-5,6-diphenyl-1,10-phenanthroline-2-carbonitrile;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,5,6-triphenylpyrido[2,3-f]quinoxaline is sourced from PubChem (CID 167682201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).