2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine

C193H198N4 — CID 161323168

IUPAC2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)cc(-c4ccc5ccc6cccnc6c5n4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21
InChIInChI=1S/C67H68.C65H66N2.C61H64N2/c1-5-7-9-11-13-19-39-67(40-20-14-12-10-8-6-2)65-41-48(4)27-36-62(65)63-38-35-53(46-66(63)67)56-43-54(51-32-30-50(31-33-51)49-28-25-47(3)26-29-49)42-55(44-56)52-34-37-61-59-23-16-15-21-57(59)58-22-17-18-24-60(58)64(61)45-52;1-5-7-9-11-13-19-39-65(40-20-14-12-10-8-6-2)60-41-46(4)27-36-57(60)58-38-34-50(43-61(58)65)63-44-62(49-32-30-48(31-33-49)47-28-25-45(3)26-29-47)66-64(67-63)51-35-37-56-54-23-16-15-21-52(54)53-22-17-18-24-55(53)59(56)42-51;1-5-7-9-11-13-15-35-61(36-16-14-12-10-8-6-2)56-38-44(4)21-32-54(56)55-33-30-50(42-57(55)61)52-39-51(47-26-24-46(25-27-47)45-22-19-43(3)20-23-45)40-53(41-52)58-34-31-49-29-28-48-18-17-37-62-59(48)60(49)63-58/h15-18,21-38,41-46H,5-14,19-20,39-40H2,1-4H3;15-18,21-38,41-44H,5-14,19-20,39-40H2,1-4H3;17-34,37-42H,5-16,35-36H2,1-4H3
InChIKeyVKKKMZFGUSFWNX-UHFFFAOYSA-N
MW2573.73 g/mol
LogP57.02
Rot. Bonds54

About 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine

2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine (PubChem CID 161323168) has the molecular formula C193H198N4 and a molecular weight of 2573.73 g/mol. Its IUPAC name is 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine.

Molecular Properties

Compound Name2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine
PubChem CID161323168
Molecular FormulaC193H198N4
Molecular Weight2573.73 g/mol
Exact Mass2571.56
IUPAC Name2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)cc(-c4ccc5ccc6cccnc6c5n4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21
InChIInChI=1S/C67H68.C65H66N2.C61H64N2/c1-5-7-9-11-13-19-39-67(40-20-14-12-10-8-6-2)65-41-48(4)27-36-62(65)63-38-35-53(46-66(63)67)56-43-54(51-32-30-50(31-33-51)49-28-25-47(3)26-29-49)42-55(44-56)52-34-37-61-59-23-16-15-21-57(59)58-22-17-18-24-60(58)64(61)45-52;1-5-7-9-11-13-19-39-65(40-20-14-12-10-8-6-2)60-41-46(4)27-36-57(60)58-38-34-50(43-61(58)65)63-44-62(49-32-30-48(31-33-49)47-28-25-45(3)26-29-47)66-64(67-63)51-35-37-56-54-23-16-15-21-52(54)53-22-17-18-24-55(53)59(56)42-51;1-5-7-9-11-13-15-35-61(36-16-14-12-10-8-6-2)56-38-44(4)21-32-54(56)55-33-30-50(42-57(55)61)52-39-51(47-26-24-46(25-27-47)45-22-19-43(3)20-23-45)40-53(41-52)58-34-31-49-29-28-48-18-17-37-62-59(48)60(49)63-58/h15-18,21-38,41-46H,5-14,19-20,39-40H2,1-4H3;15-18,21-38,41-44H,5-14,19-20,39-40H2,1-4H3;17-34,37-42H,5-16,35-36H2,1-4H3
InChIKeyVKKKMZFGUSFWNX-UHFFFAOYSA-N
XLogP57.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds54
Heavy Atoms197
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002573.73
LogP ≤ 557.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine with MolForge

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Related Compounds

2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline
CID 160630464
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]pyrimidine
CID 118345693
2-(3,5-diphenylphenyl)-4-[4-[4-[2-(3,5-diphenylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-methylpyrimidine
CID 118345427
2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-(5-methylnaphthalen-1-yl)-9,9-dioctylfluoren-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 118345499
2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]triphenylene
CID 140686917
4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[6-[4-(4-methylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dioctylfluoren-2-yl]-2-(10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)pyrimidine
CID 118345496
5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine
CID 58904109
4-[9,9-dimethyl-7-[3-[9-(4-pyrimidin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]fluoren-3-yl]-9-(3-phenanthren-9-ylphenyl)-2-(3-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134175808
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-[4-(2-phenyl-6-triphenylen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 168823379

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine?
The IUPAC name of 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine (CID 161323168) is 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine.
What is the SMILES notation for 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine?
The canonical SMILES for 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)cc(-c4ccc5ccc6cccnc6c5n4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21.
What is the InChIKey of 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine?
The InChIKey is VKKKMZFGUSFWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H68.C65H66N2.C61H64N2/c1-5-7-9-11-13-19-39-67(40-20-14-12-10-8-6-2)65-41-48(4)27-36-62(65)63-38-35-53(46-66(63)67)56-43-54(51-32-30-50(31-33-51)49-28-25-47(3)26-29-49)42-55(44-56)52-34-37-61-59-23-16-15-21-57(59)58-22-17-18-24-60(58)64(61)45-52;1-5-7-9-11-13-19-39-65(40-20-14-12-10-8-6-2)60-41-46(4)27-36-57(60)58-38-34-50(43-61(58)65)63-44-62(49-32-30-48(31-33-49)47-28-25-45(3)26-29-47)66-64(67-63)51-35-37-56-54-23-16-15-21-52(54)53-22-17-18-24-55(53)59(56)42-51;1-5-7-9-11-13-15-35-61(36-16-14-12-10-8-6-2)56-38-44(4)21-32-54(56)55-33-30-50(42-57(55)61)52-39-51(47-26-24-46(25-27-47)45-22-19-43(3)20-23-45)40-53(41-52)58-34-31-49-29-28-48-18-17-37-62-59(48)60(49)63-58/h15-18,21-38,41-46H,5-14,19-20,39-40H2,1-4H3;15-18,21-38,41-44H,5-14,19-20,39-40H2,1-4H3;17-34,37-42H,5-16,35-36H2,1-4H3.
What are the key properties of 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine?
2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine has a molecular weight of 2573.73 g/mol, XLogP of 57.02, 54 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine is sourced from PubChem (CID 161323168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).