9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline

C275H189N25 — CID 160595212

IUPAC9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline
SMILESCC(C)c1cc(-c2ccccc2)nc2c1ccc1ccc(-c3ccccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)nc12.Cc1cc(-c2ccc3ccccc3c2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc12
InChIInChI=1S/C50H33N5.C48H33N3.2C47H32N4.C43H32N4.C40H27N5/c1-32-28-45(41-23-22-33-12-8-9-17-37(33)29-41)52-47-43(32)26-24-34-25-27-44(51-46(34)47)40-20-10-18-38(30-40)39-19-11-21-42(31-39)50-54-48(35-13-4-2-5-14-35)53-49(55-50)36-15-6-3-7-16-36;1-32-27-44(34-15-7-3-8-16-34)51-48-42(32)25-23-36-24-26-43(50-47(36)48)39-21-11-19-37(28-39)38-20-12-22-40(29-38)46-31-41(33-13-5-2-6-14-33)30-45(49-46)35-17-9-4-10-18-35;1-31-27-42(32-13-5-2-6-14-32)49-46-40(31)25-23-34-24-26-41(48-45(34)46)38-21-11-19-36(28-38)37-20-12-22-39(29-37)44-30-43(33-15-7-3-8-16-33)50-47(51-44)35-17-9-4-10-18-35;1-31-27-42(32-13-5-2-6-14-32)49-46-40(31)25-23-35-24-26-41(48-45(35)46)38-21-11-19-36(28-38)37-20-12-22-39(29-37)47-50-43(33-15-7-3-8-16-33)30-44(51-47)34-17-9-4-10-18-34;1-28(2)36-26-38(29-14-6-3-7-15-29)45-42-34(36)24-22-32-23-25-37(44-41(32)42)33-20-12-13-21-35(33)43-46-39(30-16-8-4-9-17-30)27-40(47-43)31-18-10-5-11-19-31;1-26-25-35(27-13-5-2-6-14-27)42-37-31(26)23-21-28-22-24-34(41-36(28)37)32-19-11-12-20-33(32)40-44-38(29-15-7-3-8-16-29)43-39(45-40)30-17-9-4-10-18-30/h2-31H,1H3;2-31H,1H3;2*2-30H,1H3;3-28H,1-2H3;2-25H,1H3
InChIKeyRDNQDIBRPGJBMU-UHFFFAOYSA-N
MW3843.71 g/mol
LogP69.33
Rot. Bonds35

About 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline

9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline (PubChem CID 160595212) has the molecular formula C275H189N25 and a molecular weight of 3843.71 g/mol. Its IUPAC name is 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline
PubChem CID160595212
Molecular FormulaC275H189N25
Molecular Weight3843.71 g/mol
Exact Mass3840.56
IUPAC Name9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline
SMILESCC(C)c1cc(-c2ccccc2)nc2c1ccc1ccc(-c3ccccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)nc12.Cc1cc(-c2ccc3ccccc3c2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc12
InChIInChI=1S/C50H33N5.C48H33N3.2C47H32N4.C43H32N4.C40H27N5/c1-32-28-45(41-23-22-33-12-8-9-17-37(33)29-41)52-47-43(32)26-24-34-25-27-44(51-46(34)47)40-20-10-18-38(30-40)39-19-11-21-42(31-39)50-54-48(35-13-4-2-5-14-35)53-49(55-50)36-15-6-3-7-16-36;1-32-27-44(34-15-7-3-8-16-34)51-48-42(32)25-23-36-24-26-43(50-47(36)48)39-21-11-19-37(28-39)38-20-12-22-40(29-38)46-31-41(33-13-5-2-6-14-33)30-45(49-46)35-17-9-4-10-18-35;1-31-27-42(32-13-5-2-6-14-32)49-46-40(31)25-23-34-24-26-41(48-45(34)46)38-21-11-19-36(28-38)37-20-12-22-39(29-37)44-30-43(33-15-7-3-8-16-33)50-47(51-44)35-17-9-4-10-18-35;1-31-27-42(32-13-5-2-6-14-32)49-46-40(31)25-23-35-24-26-41(48-45(35)46)38-21-11-19-36(28-38)37-20-12-22-39(29-37)47-50-43(33-15-7-3-8-16-33)30-44(51-47)34-17-9-4-10-18-34;1-28(2)36-26-38(29-14-6-3-7-15-29)45-42-34(36)24-22-32-23-25-37(44-41(32)42)33-20-12-13-21-35(33)43-46-39(30-16-8-4-9-17-30)27-40(47-43)31-18-10-5-11-19-31;1-26-25-35(27-13-5-2-6-14-27)42-37-31(26)23-21-28-22-24-34(41-36(28)37)32-19-11-12-20-33(32)40-44-38(29-15-7-3-8-16-29)43-39(45-40)30-17-9-4-10-18-30/h2-31H,1H3;2-31H,1H3;2*2-30H,1H3;3-28H,1-2H3;2-25H,1H3
InChIKeyRDNQDIBRPGJBMU-UHFFFAOYSA-N
XLogP69.33
TPSA322.25 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003843.71
LogP ≤ 569.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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

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Related Compounds

2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4,9-dimethyl-1,10-phenanthroline;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,9-dimethyl-1,10-phenanthroline;2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-methyl-4-propan-2-yl-1,10-phenanthroline
CID 157120147
4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline
CID 162010579
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-[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
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163499320
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
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
9-(4,6-diphenyl-2-pyridinyl)-2-ethyl-4-phenyl-1,10-phenanthroline;9-[3-[4-[2-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-2,4-di(propan-2-yl)-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline
CID 158955191
4-ethyl-9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,10-phenanthroline;4-methyl-9-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline;4-methyl-9-phenyl-2-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline;4-methyl-9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 159181351
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725307
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-[3-[8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyridine;4-[3-[8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2-[3-[8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;4-[3-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 158790011

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline?
The IUPAC name of 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline (CID 160595212) is 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline.
What is the SMILES notation for 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline?
The canonical SMILES for 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline is CC(C)c1cc(-c2ccccc2)nc2c1ccc1ccc(-c3ccccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)nc12.Cc1cc(-c2ccc3ccccc3c2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc12.
What is the InChIKey of 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline?
The InChIKey is RDNQDIBRPGJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5.C48H33N3.2C47H32N4.C43H32N4.C40H27N5/c1-32-28-45(41-23-22-33-12-8-9-17-37(33)29-41)52-47-43(32)26-24-34-25-27-44(51-46(34)47)40-20-10-18-38(30-40)39-19-11-21-42(31-39)50-54-48(35-13-4-2-5-14-35)53-49(55-50)36-15-6-3-7-16-36;1-32-27-44(34-15-7-3-8-16-34)51-48-42(32)25-23-36-24-26-43(50-47(36)48)39-21-11-19-37(28-39)38-20-12-22-40(29-38)46-31-41(33-13-5-2-6-14-33)30-45(49-46)35-17-9-4-10-18-35;1-31-27-42(32-13-5-2-6-14-32)49-46-40(31)25-23-34-24-26-41(48-45(34)46)38-21-11-19-36(28-38)37-20-12-22-39(29-37)44-30-43(33-15-7-3-8-16-33)50-47(51-44)35-17-9-4-10-18-35;1-31-27-42(32-13-5-2-6-14-32)49-46-40(31)25-23-35-24-26-41(48-45(35)46)38-21-11-19-36(28-38)37-20-12-22-39(29-37)47-50-43(33-15-7-3-8-16-33)30-44(51-47)34-17-9-4-10-18-34;1-28(2)36-26-38(29-14-6-3-7-15-29)45-42-34(36)24-22-32-23-25-37(44-41(32)42)33-20-12-13-21-35(33)43-46-39(30-16-8-4-9-17-30)27-40(47-43)31-18-10-5-11-19-31;1-26-25-35(27-13-5-2-6-14-27)42-37-31(26)23-21-28-22-24-34(41-36(28)37)32-19-11-12-20-33(32)40-44-38(29-15-7-3-8-16-29)43-39(45-40)30-17-9-4-10-18-30/h2-31H,1H3;2-31H,1H3;2*2-30H,1H3;3-28H,1-2H3;2-25H,1H3.
What are the key properties of 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline?
9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline has a molecular weight of 3843.71 g/mol, XLogP of 69.33, 35 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline is sourced from PubChem (CID 160595212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).