2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline

C318H257N25O5 — CID 161315422

IUPAC2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC(C)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.CC1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.CC1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.Cc1ccc2c(c1)NC(c1ccccc1)C(c1cc(-c3nc4ccc(C)cc4nc3-c3ccccc3)cc(-c3nc4ccc(C)cc4nc3-c3ccccc3)c1)N2.Cc1cccc(C2=CC3=C(C2)C2=C(C=C(c4cccc(C)c4)C2)C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C57H42N6O2.C51H40N6.C49H40N4O2.C39H30N4.C37H30.C31H26.C30H27N3.C24H22N2O/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;1-31-19-22-40-43(25-31)55-46(34-13-7-4-8-14-34)49(52-40)37-28-38(50-47(35-15-9-5-10-16-35)56-44-26-32(2)20-23-41(44)53-50)30-39(29-37)51-48(36-17-11-6-12-18-36)57-45-27-33(3)21-24-42(45)54-51;1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6;1-39(2)37(33-23-13-21-31(42-33)29-19-9-11-25-40-29)35(27-15-5-3-6-16-27)36(28-17-7-4-8-18-28)38(39)34-24-14-22-32(43-34)30-20-10-12-26-41-30;1-25-11-9-13-27(19-25)29-21-33-34-22-30(28-14-10-12-26(2)20-28)24-36(34)37(35(33)23-29,31-15-5-3-6-16-31)32-17-7-4-8-18-32;1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26;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;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-38H,1-2H3;4-30,46,49,52,55H,1-3H3;7-28H,1-6H3;3-26H,1-2H3;3-20,23-24H,21-22H2,1-2H3;3-22H,1-2H3;4-21H,1-3H3;4-16H,1-3H3
InChIKeyVJKWJWYLQIWXLA-UHFFFAOYSA-N
MW4508.72 g/mol
LogP79.03
Rot. Bonds43

About 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline

2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline (PubChem CID 161315422) has the molecular formula C318H257N25O5 and a molecular weight of 4508.72 g/mol. Its IUPAC name is 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline.

Molecular Properties

Compound Name2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline
PubChem CID161315422
Molecular FormulaC318H257N25O5
Molecular Weight4508.72 g/mol
Exact Mass4505.06
IUPAC Name2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC(C)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.CC1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.CC1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.Cc1ccc2c(c1)NC(c1ccccc1)C(c1cc(-c3nc4ccc(C)cc4nc3-c3ccccc3)cc(-c3nc4ccc(C)cc4nc3-c3ccccc3)c1)N2.Cc1cccc(C2=CC3=C(C2)C2=C(C=C(c4cccc(C)c4)C2)C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C57H42N6O2.C51H40N6.C49H40N4O2.C39H30N4.C37H30.C31H26.C30H27N3.C24H22N2O/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;1-31-19-22-40-43(25-31)55-46(34-13-7-4-8-14-34)49(52-40)37-28-38(50-47(35-15-9-5-10-16-35)56-44-26-32(2)20-23-41(44)53-50)30-39(29-37)51-48(36-17-11-6-12-18-36)57-45-27-33(3)21-24-42(45)54-51;1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6;1-39(2)37(33-23-13-21-31(42-33)29-19-9-11-25-40-29)35(27-15-5-3-6-16-27)36(28-17-7-4-8-18-28)38(39)34-24-14-22-32(43-34)30-20-10-12-26-41-30;1-25-11-9-13-27(19-25)29-21-33-34-22-30(28-14-10-12-26(2)20-28)24-36(34)37(35(33)23-29,31-15-5-3-6-16-31)32-17-7-4-8-18-32;1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26;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;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-38H,1-2H3;4-30,46,49,52,55H,1-3H3;7-28H,1-6H3;3-26H,1-2H3;3-20,23-24H,21-22H2,1-2H3;3-22H,1-2H3;4-21H,1-3H3;4-16H,1-3H3
InChIKeyVJKWJWYLQIWXLA-UHFFFAOYSA-N
XLogP79.03
TPSA370.45 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds43
Heavy Atoms348
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004508.72
LogP ≤ 579.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline?
The IUPAC name of 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline (CID 161315422) is 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline.
What is the SMILES notation for 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline?
The canonical SMILES for 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC(C)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.CC1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.CC1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.Cc1ccc2c(c1)NC(c1ccccc1)C(c1cc(-c3nc4ccc(C)cc4nc3-c3ccccc3)cc(-c3nc4ccc(C)cc4nc3-c3ccccc3)c1)N2.Cc1cccc(C2=CC3=C(C2)C2=C(C=C(c4cccc(C)c4)C2)C3(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline?
The InChIKey is VJKWJWYLQIWXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N6O2.C51H40N6.C49H40N4O2.C39H30N4.C37H30.C31H26.C30H27N3.C24H22N2O/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;1-31-19-22-40-43(25-31)55-46(34-13-7-4-8-14-34)49(52-40)37-28-38(50-47(35-15-9-5-10-16-35)56-44-26-32(2)20-23-41(44)53-50)30-39(29-37)51-48(36-17-11-6-12-18-36)57-45-27-33(3)21-24-42(45)54-51;1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6;1-39(2)37(33-23-13-21-31(42-33)29-19-9-11-25-40-29)35(27-15-5-3-6-16-27)36(28-17-7-4-8-18-28)38(39)34-24-14-22-32(43-34)30-20-10-12-26-41-30;1-25-11-9-13-27(19-25)29-21-33-34-22-30(28-14-10-12-26(2)20-28)24-36(34)37(35(33)23-29,31-15-5-3-6-16-31)32-17-7-4-8-18-32;1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26;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;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h3-38H,1-2H3;4-30,46,49,52,55H,1-3H3;7-28H,1-6H3;3-26H,1-2H3;3-20,23-24H,21-22H2,1-2H3;3-22H,1-2H3;4-21H,1-3H3;4-16H,1-3H3.
What are the key properties of 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline?
2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline has a molecular weight of 4508.72 g/mol, XLogP of 79.03, 43 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalene;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-[5,5-dimethyl-2,3-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)cyclopenta-1,3-dien-1-yl]-6-pyridin-2-ylpyridine;(3,3-dimethyl-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene;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;6-methyl-2-[3-(6-methyl-3-phenylquinoxalin-2-yl)-5-(6-methyl-3-phenyl-1,2,3,4-tetrahydroquinoxalin-2-yl)phenyl]-3-phenylquinoxaline is sourced from PubChem (CID 161315422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).