3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline

C257H200N24O3 — CID 158694438

IUPAC3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
SMILESCC.CC.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CN1c2ccccc2Cc2ccccc21.Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.Cc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)n3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2nc3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc2c(-c3nnc(-c4cccc5ccccc45)o3)cccc2c1
InChIInChI=1S/C34H22N4.C30H27N3.C26H19N3.C26H20N2.C24H16N2.C22H14N2O.C20H14N2O.C19H14N2O.C19H14N2.C19H15N.C14H13N.2C2H6/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)37-33-27(35-29)21-22-28-34(33)38-32(26-19-11-4-12-20-26)30(36-28)24-15-7-2-8-16-24;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;1-4-10-20(11-5-1)21-16-18-23(19-17-21)26-28-27-25(22-12-6-2-7-13-22)29(26)24-14-8-3-9-15-24;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-11-17-15(7-1)9-5-13-19(17)21-23-24-22(25-21)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17;1-13-9-11-15(12-10-13)18-20-21-19(22-18)17-8-4-6-14-5-2-3-7-16(14)17;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;2*1-2/h1-22H;4-21H,1-3H3;1-19H;3-16H,1-2H3;1-16H;1-14H;1-14H;2-12H,1H3;1-14H;2-13H,1H3;2-9H,10H2,1H3;2*1-2H3
InChIKeyIGTJFGVNQWRYAP-UHFFFAOYSA-N
MW3672.59 g/mol
LogP65.77
Rot. Bonds26

About 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline

3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline (PubChem CID 158694438) has the molecular formula C257H200N24O3 and a molecular weight of 3672.59 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
PubChem CID158694438
Molecular FormulaC257H200N24O3
Molecular Weight3672.59 g/mol
Exact Mass3669.62
IUPAC Name3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
SMILESCC.CC.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CN1c2ccccc2Cc2ccccc21.Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.Cc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)n3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2nc3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc2c(-c3nnc(-c4cccc5ccccc45)o3)cccc2c1
InChIInChI=1S/C34H22N4.C30H27N3.C26H19N3.C26H20N2.C24H16N2.C22H14N2O.C20H14N2O.C19H14N2O.C19H14N2.C19H15N.C14H13N.2C2H6/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)37-33-27(35-29)21-22-28-34(33)38-32(26-19-11-4-12-20-26)30(36-28)24-15-7-2-8-16-24;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;1-4-10-20(11-5-1)21-16-18-23(19-17-21)26-28-27-25(22-12-6-2-7-13-22)29(26)24-14-8-3-9-15-24;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-11-17-15(7-1)9-5-13-19(17)21-23-24-22(25-21)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17;1-13-9-11-15(12-10-13)18-20-21-19(22-18)17-8-4-6-14-5-2-3-7-16(14)17;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;2*1-2/h1-22H;4-21H,1-3H3;1-19H;3-16H,1-2H3;1-16H;1-14H;1-14H;2-12H,1H3;1-14H;2-13H,1H3;2-9H,10H2,1H3;2*1-2H3
InChIKeyIGTJFGVNQWRYAP-UHFFFAOYSA-N
XLogP65.77
TPSA307.29 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003672.59
LogP ≤ 565.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline with MolForge

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Related Compounds

CID 157799194
CID 157799194
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
16-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-[3-methyl-5-(trifluoromethyl)phenyl]-16-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;2-phenyl-5-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-1,3,4-oxadiazole
CID 158772688
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 159951318
2-[3,5-Bis(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-naphthalen-1-yl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole;9-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]carbazole
CID 160130312
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;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 160311315
1-[4,6-Bis(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;9-butan-2-ylcarbazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161135612
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-[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;1,1-dimethyl-2,3,4,5-tetraphenylsilole;7-hexyl-2-(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;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 161579753
2-[3-[4-[3,5-Diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 90701212
5-(4-Tert-butylphenyl)-3-[2-[3-[1-[3-(4,7-diphenyl-1,10-phenanthrolin-1-ium-1-yl)phenyl]benzimidazol-2-yl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-ium
CID 91238558
3,3-Dimethyl-6-(4-methylimidazol-1-yl)-1-(2-methylpyrimidin-5-yl)indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methylpyrimidin-5-yl)indol-2-one
CID 118611607
2,5-Bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole
CID 122594127

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline?
The IUPAC name of 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline (CID 158694438) is 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline.
What is the SMILES notation for 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline?
The canonical SMILES for 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline is CC.CC.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CN1c2ccccc2Cc2ccccc21.Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.Cc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)n3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2nc3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc2c(-c3nnc(-c4cccc5ccccc45)o3)cccc2c1.
What is the InChIKey of 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline?
The InChIKey is IGTJFGVNQWRYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4.C30H27N3.C26H19N3.C26H20N2.C24H16N2.C22H14N2O.C20H14N2O.C19H14N2O.C19H14N2.C19H15N.C14H13N.2C2H6/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)37-33-27(35-29)21-22-28-34(33)38-32(26-19-11-4-12-20-26)30(36-28)24-15-7-2-8-16-24;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;1-4-10-20(11-5-1)21-16-18-23(19-17-21)26-28-27-25(22-12-6-2-7-13-22)29(26)24-14-8-3-9-15-24;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-11-17-15(7-1)9-5-13-19(17)21-23-24-22(25-21)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17;1-13-9-11-15(12-10-13)18-20-21-19(22-18)17-8-4-6-14-5-2-3-7-16(14)17;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;2*1-2/h1-22H;4-21H,1-3H3;1-19H;3-16H,1-2H3;1-16H;1-14H;1-14H;2-12H,1H3;1-14H;2-13H,1H3;2-9H,10H2,1H3;2*1-2H3.
What are the key properties of 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline?
3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline has a molecular weight of 3672.59 g/mol, XLogP of 65.77, 26 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole;1,2-diphenylbenzimidazole;4,7-diphenyl-1,10-phenanthroline;3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;ethane;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline is sourced from PubChem (CID 158694438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).