2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine

C231H180F3N23O2 — CID 159648452

IUPAC2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.CCCCCCc1ccc(-c2cc(-c3ccccc3)c3cc4nc(-c5ccc(CCCCCC)cc5)cc(-c5ccccc5)c4cc3n2)cc1.Cc1ccc2nc(-c3cc(-c4nc5ccc(C)cc5nc4-c4ccccc4)cc(-c4nc5ccc(C(F)(F)F)cc5nc4-c4ccccc4)c3)c(-c3ccccc3)nc2c1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C57H42N6O2.C51H33F3N6.C48H48N2.C45H30N6.C30H27N3/c1-57(2,45-27-35-49(36-28-45)64-47-31-23-43(24-32-47)55-60-51(39-15-7-3-8-16-39)58-52(61-55)40-17-9-4-10-18-40)46-29-37-50(38-30-46)65-48-33-25-44(26-34-48)56-62-53(41-19-11-5-12-20-41)59-54(63-56)42-21-13-6-14-22-42;1-30-18-21-39-42(24-30)58-45(32-12-6-3-7-13-32)48(55-39)35-26-36(49-46(33-14-8-4-9-15-33)59-43-25-31(2)19-22-40(43)56-49)28-37(27-35)50-47(34-16-10-5-11-17-34)60-44-29-38(51(52,53)54)20-23-41(44)57-50;1-3-5-7-11-17-35-23-27-39(28-24-35)45-31-41(37-19-13-9-14-20-37)43-34-48-44(33-47(43)49-45)42(38-21-15-10-16-22-38)32-46(50-48)40-29-25-36(26-30-40)18-12-8-6-4-2;1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22/h3-38H,1-2H3;3-29H,1-2H3;9-10,13-16,19-34H,3-8,11-12,17-18H2,1-2H3;1-30H;4-21H,1-3H3
InChIKeyMRGIAAXQNRBQDH-UHFFFAOYSA-N
MW3367.13 g/mol
LogP59.09
Rot. Bonds42

About 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine

2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159648452) has the molecular formula C231H180F3N23O2 and a molecular weight of 3367.13 g/mol. Its IUPAC name is 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID159648452
Molecular FormulaC231H180F3N23O2
Molecular Weight3367.13 g/mol
Exact Mass3364.46
IUPAC Name2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.CCCCCCc1ccc(-c2cc(-c3ccccc3)c3cc4nc(-c5ccc(CCCCCC)cc5)cc(-c5ccccc5)c4cc3n2)cc1.Cc1ccc2nc(-c3cc(-c4nc5ccc(C)cc5nc4-c4ccccc4)cc(-c4nc5ccc(C(F)(F)F)cc5nc4-c4ccccc4)c3)c(-c3ccccc3)nc2c1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C57H42N6O2.C51H33F3N6.C48H48N2.C45H30N6.C30H27N3/c1-57(2,45-27-35-49(36-28-45)64-47-31-23-43(24-32-47)55-60-51(39-15-7-3-8-16-39)58-52(61-55)40-17-9-4-10-18-40)46-29-37-50(38-30-46)65-48-33-25-44(26-34-48)56-62-53(41-19-11-5-12-20-41)59-54(63-56)42-21-13-6-14-22-42;1-30-18-21-39-42(24-30)58-45(32-12-6-3-7-13-32)48(55-39)35-26-36(49-46(33-14-8-4-9-15-33)59-43-25-31(2)19-22-40(43)56-49)28-37(27-35)50-47(34-16-10-5-11-17-34)60-44-29-38(51(52,53)54)20-23-41(44)57-50;1-3-5-7-11-17-35-23-27-39(28-24-35)45-31-41(37-19-13-9-14-20-37)43-34-48-44(33-47(43)49-45)42(38-21-15-10-16-22-38)32-46(50-48)40-29-25-36(26-30-40)18-12-8-6-4-2;1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22/h3-38H,1-2H3;3-29H,1-2H3;9-10,13-16,19-34H,3-8,11-12,17-18H2,1-2H3;1-30H;4-21H,1-3H3
InChIKeyMRGIAAXQNRBQDH-UHFFFAOYSA-N
XLogP59.09
TPSA283.09 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds42
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003367.13
LogP ≤ 559.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,7-Bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157248021
2,7-Bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157267013
2,7-Bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157291946
2-[3,5-Bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(6-tert-butylnaphthalen-2-yl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2-fluorophenyl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-[4-[4-(trifluoromethyl)phenyl]phenyl]benzo[h]quinazoline
CID 157492933
2-[3,5-Bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;7-(4-hexylphenyl)-2-(4-pentylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline
CID 157509894
2,7-Bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157826536
2-[3,5-Bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158072566
2-[3,5-Bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 158115436
2-(2-Methoxyphenyl)-5-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]benzo[e]benzimidazole;2-(4-phenoxyphenyl)-5-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]benzo[e]benzimidazole;2-phenyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[e]benzimidazole;5-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-(trifluoromethyl)benzo[e]benzimidazole
CID 158295250
4-(10-Dimethylphosphoryl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-11-yl)benzonitrile;4-(10-dimethylphosphoryl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)benzonitrile;4-[11-(7-dimethylphosphorylnaphthalen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl]benzonitrile;10-dimethylphosphoryl-17-[4-(trifluoromethoxy)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 158611801
2-[3,5-Bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158680581
CID 158740341
CID 158740341

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159648452) is 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.CCCCCCc1ccc(-c2cc(-c3ccccc3)c3cc4nc(-c5ccc(CCCCCC)cc5)cc(-c5ccccc5)c4cc3n2)cc1.Cc1ccc2nc(-c3cc(-c4nc5ccc(C)cc5nc4-c4ccccc4)cc(-c4nc5ccc(C(F)(F)F)cc5nc4-c4ccccc4)c3)c(-c3ccccc3)nc2c1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MRGIAAXQNRBQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N6O2.C51H33F3N6.C48H48N2.C45H30N6.C30H27N3/c1-57(2,45-27-35-49(36-28-45)64-47-31-23-43(24-32-47)55-60-51(39-15-7-3-8-16-39)58-52(61-55)40-17-9-4-10-18-40)46-29-37-50(38-30-46)65-48-33-25-44(26-34-48)56-62-53(41-19-11-5-12-20-41)59-54(63-56)42-21-13-6-14-22-42;1-30-18-21-39-42(24-30)58-45(32-12-6-3-7-13-32)48(55-39)35-26-36(49-46(33-14-8-4-9-15-33)59-43-25-31(2)19-22-40(43)56-49)28-37(27-35)50-47(34-16-10-5-11-17-34)60-44-29-38(51(52,53)54)20-23-41(44)57-50;1-3-5-7-11-17-35-23-27-39(28-24-35)45-31-41(37-19-13-9-14-20-37)43-34-48-44(33-47(43)49-45)42(38-21-15-10-16-22-38)32-46(50-48)40-29-25-36(26-30-40)18-12-8-6-4-2;1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22/h3-38H,1-2H3;3-29H,1-2H3;9-10,13-16,19-34H,3-8,11-12,17-18H2,1-2H3;1-30H;4-21H,1-3H3.
What are the key properties of 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 3367.13 g/mol, XLogP of 59.09, 42 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(6-methyl-3-phenylquinoxalin-2-yl)phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159648452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).