8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline

C391H245N35 — CID 165102432

IUPAC8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3ccccc3)c3c4ccc4ccc(-c5ccccc5)nc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4c5ccc5ccc(-c6ccccc6)nc54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6ccc(-c7nc(-c8ccccc8)c8ccccc8n7)cc6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6ccc7cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc7c6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4c5ccc5ccc(-c6ccccc6)nc54)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C53H33N5.C52H32N4.C51H31N5.2C50H32N4.C48H30N4.C44H28N4.C43H27N5/c1-5-13-34(14-6-1)46-30-27-36-25-29-45-44-28-26-42(33-47(44)55-49(48(45)50(36)54-46)35-15-7-2-8-16-35)40-21-22-41-32-43(24-23-39(41)31-40)53-57-51(37-17-9-3-10-18-37)56-52(58-53)38-19-11-4-12-20-38;1-3-13-35(14-4-1)45-28-25-37-23-27-44-43-26-24-41(31-48(43)54-50(49(44)51(37)53-45)36-15-5-2-6-16-36)47-32-46(40-21-19-33-11-7-9-17-38(33)29-40)55-52(56-47)42-22-20-34-12-8-10-18-39(34)30-42;1-3-13-34(14-4-1)44-28-25-36-23-27-43-42-26-24-41(31-45(42)53-47(46(43)48(36)52-44)35-15-5-2-6-16-35)51-55-49(39-21-19-32-11-7-9-17-37(32)29-39)54-50(56-51)40-22-20-33-12-8-10-18-38(33)30-40;1-5-14-33(15-6-1)38-22-13-23-39(30-38)44-32-45(54-50(53-44)37-20-11-4-12-21-37)40-25-27-41-42-28-24-36-26-29-43(34-16-7-2-8-17-34)51-49(36)47(42)48(52-46(41)31-40)35-18-9-3-10-19-35;1-5-13-33(14-6-1)34-21-23-36(24-22-34)44-32-45(54-50(53-44)39-19-11-4-12-20-39)40-26-28-41-42-29-25-38-27-30-43(35-15-7-2-8-16-35)51-49(38)47(42)48(52-46(41)31-40)37-17-9-3-10-18-37;1-4-12-32(13-5-1)41-29-26-35-24-28-39-38-27-25-37(30-43(38)50-46(44(39)47(35)49-41)34-16-8-3-9-17-34)31-20-22-36(23-21-31)48-51-42-19-11-10-18-40(42)45(52-48)33-14-6-2-7-15-33;1-5-13-29(14-6-1)37-26-23-33-21-25-36-35-24-22-34(27-40(35)46-42(41(36)43(33)45-37)32-19-11-4-12-20-32)44-47-38(30-15-7-2-8-16-30)28-39(48-44)31-17-9-3-10-18-31;1-3-11-28(12-4-1)35-22-19-30-17-21-34-33-20-18-31(25-38(33)48-42(41(34)43(30)47-35)29-13-5-2-6-14-29)32-26-39(36-15-7-9-23-44-36)46-40(27-32)37-16-8-10-24-45-37/h1-33H;1-32H;1-31H;2*1-32H;1-30H;1-28H;1-27H
InChIKeyYOGOEYRQIUSQBL-UHFFFAOYSA-N
MW5433.51 g/mol
LogP98.59
Rot. Bonds43

About 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline

8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline (PubChem CID 165102432) has the molecular formula C391H245N35 and a molecular weight of 5433.51 g/mol. Its IUPAC name is 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline.

Molecular Properties

Compound Name8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline
PubChem CID165102432
Molecular FormulaC391H245N35
Molecular Weight5433.51 g/mol
Exact Mass5429.02
IUPAC Name8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3ccccc3)c3c4ccc4ccc(-c5ccccc5)nc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4c5ccc5ccc(-c6ccccc6)nc54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6ccc(-c7nc(-c8ccccc8)c8ccccc8n7)cc6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6ccc7cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc7c6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4c5ccc5ccc(-c6ccccc6)nc54)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C53H33N5.C52H32N4.C51H31N5.2C50H32N4.C48H30N4.C44H28N4.C43H27N5/c1-5-13-34(14-6-1)46-30-27-36-25-29-45-44-28-26-42(33-47(44)55-49(48(45)50(36)54-46)35-15-7-2-8-16-35)40-21-22-41-32-43(24-23-39(41)31-40)53-57-51(37-17-9-3-10-18-37)56-52(58-53)38-19-11-4-12-20-38;1-3-13-35(14-4-1)45-28-25-37-23-27-44-43-26-24-41(31-48(43)54-50(49(44)51(37)53-45)36-15-5-2-6-16-36)47-32-46(40-21-19-33-11-7-9-17-38(33)29-40)55-52(56-47)42-22-20-34-12-8-10-18-39(34)30-42;1-3-13-34(14-4-1)44-28-25-36-23-27-43-42-26-24-41(31-45(42)53-47(46(43)48(36)52-44)35-15-5-2-6-16-35)51-55-49(39-21-19-32-11-7-9-17-37(32)29-39)54-50(56-51)40-22-20-33-12-8-10-18-38(33)30-40;1-5-14-33(15-6-1)38-22-13-23-39(30-38)44-32-45(54-50(53-44)37-20-11-4-12-21-37)40-25-27-41-42-28-24-36-26-29-43(34-16-7-2-8-17-34)51-49(36)47(42)48(52-46(41)31-40)35-18-9-3-10-19-35;1-5-13-33(14-6-1)34-21-23-36(24-22-34)44-32-45(54-50(53-44)39-19-11-4-12-20-39)40-26-28-41-42-29-25-38-27-30-43(35-15-7-2-8-16-35)51-49(38)47(42)48(52-46(41)31-40)37-17-9-3-10-18-37;1-4-12-32(13-5-1)41-29-26-35-24-28-39-38-27-25-37(30-43(38)50-46(44(39)47(35)49-41)34-16-8-3-9-17-34)31-20-22-36(23-21-31)48-51-42-19-11-10-18-40(42)45(52-48)33-14-6-2-7-15-33;1-5-13-29(14-6-1)37-26-23-33-21-25-36-35-24-22-34(27-40(35)46-42(41(36)43(33)45-37)32-19-11-4-12-20-32)44-47-38(30-15-7-2-8-16-30)28-39(48-44)31-17-9-3-10-18-31;1-3-11-28(12-4-1)35-22-19-30-17-21-34-33-20-18-31(25-38(33)48-42(41(34)43(30)47-35)29-13-5-2-6-14-29)32-26-39(36-15-7-9-23-44-36)46-40(27-32)37-16-8-10-24-45-37/h1-33H;1-32H;1-31H;2*1-32H;1-30H;1-28H;1-27H
InChIKeyYOGOEYRQIUSQBL-UHFFFAOYSA-N
XLogP98.59
TPSA451.15 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds43
Heavy Atoms426
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005433.51
LogP ≤ 598.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline with MolForge

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Related Compounds

5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline
CID 164811038
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline
CID 165024798
2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 130316355
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159184433
8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline
CID 164958587
2-[3-(4-phenylquinazolin-2-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732230
14-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(2-phenylquinazolin-4-yl)phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 157307249
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine;2-(10-naphthalen-1-yl-6-phenylphenanthridin-3-yl)-9-phenyl-1,10-phenanthroline
CID 159809998
4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline
CID 118552412
22-[4-[3-[6-(3-phenylphenyl)-2-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-[6-(4-phenylphenyl)-2-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 162035485
2-[3-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732312
2-(3-naphthalen-2-ylphenyl)-9-[4-[4-phenyl-2-(4-phenylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167704

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline?
The IUPAC name of 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline (CID 165102432) is 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline.
What is the SMILES notation for 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline?
The canonical SMILES for 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)nc(-c3ccccc3)c3c4ccc4ccc(-c5ccccc5)nc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4c5ccc5ccc(-c6ccccc6)nc54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6ccc(-c7nc(-c8ccccc8)c8ccccc8n7)cc6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6ccc7cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc7c6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2ccc3ccc4c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5nc(-c5ccccc5)c4c3n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4c5ccc5ccc(-c6ccccc6)nc54)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline?
The InChIKey is YOGOEYRQIUSQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5.C52H32N4.C51H31N5.2C50H32N4.C48H30N4.C44H28N4.C43H27N5/c1-5-13-34(14-6-1)46-30-27-36-25-29-45-44-28-26-42(33-47(44)55-49(48(45)50(36)54-46)35-15-7-2-8-16-35)40-21-22-41-32-43(24-23-39(41)31-40)53-57-51(37-17-9-3-10-18-37)56-52(58-53)38-19-11-4-12-20-38;1-3-13-35(14-4-1)45-28-25-37-23-27-44-43-26-24-41(31-48(43)54-50(49(44)51(37)53-45)36-15-5-2-6-16-36)47-32-46(40-21-19-33-11-7-9-17-38(33)29-40)55-52(56-47)42-22-20-34-12-8-10-18-39(34)30-42;1-3-13-34(14-4-1)44-28-25-36-23-27-43-42-26-24-41(31-45(42)53-47(46(43)48(36)52-44)35-15-5-2-6-16-35)51-55-49(39-21-19-32-11-7-9-17-37(32)29-39)54-50(56-51)40-22-20-33-12-8-10-18-38(33)30-40;1-5-14-33(15-6-1)38-22-13-23-39(30-38)44-32-45(54-50(53-44)37-20-11-4-12-21-37)40-25-27-41-42-28-24-36-26-29-43(34-16-7-2-8-17-34)51-49(36)47(42)48(52-46(41)31-40)35-18-9-3-10-19-35;1-5-13-33(14-6-1)34-21-23-36(24-22-34)44-32-45(54-50(53-44)39-19-11-4-12-20-39)40-26-28-41-42-29-25-38-27-30-43(35-15-7-2-8-16-35)51-49(38)47(42)48(52-46(41)31-40)37-17-9-3-10-18-37;1-4-12-32(13-5-1)41-29-26-35-24-28-39-38-27-25-37(30-43(38)50-46(44(39)47(35)49-41)34-16-8-3-9-17-34)31-20-22-36(23-21-31)48-51-42-19-11-10-18-40(42)45(52-48)33-14-6-2-7-15-33;1-5-13-29(14-6-1)37-26-23-33-21-25-36-35-24-22-34(27-40(35)46-42(41(36)43(33)45-37)32-19-11-4-12-20-32)44-47-38(30-15-7-2-8-16-30)28-39(48-44)31-17-9-3-10-18-31;1-3-11-28(12-4-1)35-22-19-30-17-21-34-33-20-18-31(25-38(33)48-42(41(34)43(30)47-35)29-13-5-2-6-14-29)32-26-39(36-15-7-9-23-44-36)46-40(27-32)37-16-8-10-24-45-37/h1-33H;1-32H;1-31H;2*1-32H;1-30H;1-28H;1-27H.
What are the key properties of 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline?
8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline has a molecular weight of 5433.51 g/mol, XLogP of 98.59, 43 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline is sourced from PubChem (CID 165102432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).