2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole

C270H252N20O4S6 — CID 158199319

IUPAC2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole
SMILESCC1(C)COC(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)CO6)nc5)ccc34)cn2)=N1.CC1(C)COC(c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(C6=NC(C)(C)CO6)cc5)c5ccccc5c34)cc2)=N1.CC1(C)CSC(c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(C6=NC(C)(C)CS6)cc5)c5ccccc5c34)cc2)=N1.CC1(C)N=C(c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)cc5)c5ccccc5c34)cc2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)C(C)(C)c2c-3ccc3cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)cc4)ccc23)cc1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)cc4)c4ccccc4c23)cc1
InChIInChI=1S/C54H50N4S.C49H40N4O2.C47H52N4.C44H46N4S.C38H32N2O2S.C38H32N2S3/c1-51(2)53(5,6)57(40-17-11-9-12-18-40)49(55-51)37-27-23-35(24-28-37)39-31-32-44-46(33-39)59-47-34-45(42-21-15-16-22-43(42)48(44)47)36-25-29-38(30-26-36)50-56-52(3,4)54(7,8)58(50)41-19-13-10-14-20-41;1-47(2)29-54-45(52-47)42-23-18-34(27-50-42)31-15-20-38-33(25-31)17-22-40-39-21-16-32(35-19-24-43(51-28-35)46-53-48(3,4)30-55-46)26-41(39)49(44(38)40,36-11-7-5-8-12-36)37-13-9-6-10-14-37;1-29-48-44(5,6)46(9,10)50(29)36-20-13-31(14-21-36)33-17-24-38-35(27-33)19-26-40-39-25-18-34(28-41(39)43(3,4)42(38)40)32-15-22-37(23-16-32)51-30(2)49-45(7,8)47(51,11)12;1-27-45-41(3,4)43(7,8)47(27)32-20-15-29(16-21-32)31-19-24-36-38(25-31)49-39-26-37(34-13-11-12-14-35(34)40(36)39)30-17-22-33(23-18-30)48-28(2)46-42(5,6)44(48,9)10;2*1-37(2)21-41-35(39-37)25-13-9-23(10-14-25)27-17-18-30-32(19-27)43-33-20-31(28-7-5-6-8-29(28)34(30)33)24-11-15-26(16-12-24)36-40-38(3,4)22-42-36/h9-34H,1-8H3;5-28H,29-30H2,1-4H3;13-28H,1-12H3;11-26H,1-10H3;2*5-20H,21-22H2,1-4H3
InChIKeyGASUXMOXFUEVBP-UHFFFAOYSA-N
MW4033.52 g/mol
LogP69.57
Rot. Bonds28

About 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole

2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole (PubChem CID 158199319) has the molecular formula C270H252N20O4S6 and a molecular weight of 4033.52 g/mol. Its IUPAC name is 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole.

Molecular Properties

Compound Name2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole
PubChem CID158199319
Molecular FormulaC270H252N20O4S6
Molecular Weight4033.52 g/mol
Exact Mass4029.85
IUPAC Name2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole
SMILESCC1(C)COC(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)CO6)nc5)ccc34)cn2)=N1.CC1(C)COC(c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(C6=NC(C)(C)CO6)cc5)c5ccccc5c34)cc2)=N1.CC1(C)CSC(c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(C6=NC(C)(C)CS6)cc5)c5ccccc5c34)cc2)=N1.CC1(C)N=C(c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)cc5)c5ccccc5c34)cc2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)C(C)(C)c2c-3ccc3cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)cc4)ccc23)cc1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)cc4)c4ccccc4c23)cc1
InChIInChI=1S/C54H50N4S.C49H40N4O2.C47H52N4.C44H46N4S.C38H32N2O2S.C38H32N2S3/c1-51(2)53(5,6)57(40-17-11-9-12-18-40)49(55-51)37-27-23-35(24-28-37)39-31-32-44-46(33-39)59-47-34-45(42-21-15-16-22-43(42)48(44)47)36-25-29-38(30-26-36)50-56-52(3,4)54(7,8)58(50)41-19-13-10-14-20-41;1-47(2)29-54-45(52-47)42-23-18-34(27-50-42)31-15-20-38-33(25-31)17-22-40-39-21-16-32(35-19-24-43(51-28-35)46-53-48(3,4)30-55-46)26-41(39)49(44(38)40,36-11-7-5-8-12-36)37-13-9-6-10-14-37;1-29-48-44(5,6)46(9,10)50(29)36-20-13-31(14-21-36)33-17-24-38-35(27-33)19-26-40-39-25-18-34(28-41(39)43(3,4)42(38)40)32-15-22-37(23-16-32)51-30(2)49-45(7,8)47(51,11)12;1-27-45-41(3,4)43(7,8)47(27)32-20-15-29(16-21-32)31-19-24-36-38(25-31)49-39-26-37(34-13-11-12-14-35(34)40(36)39)30-17-22-33(23-18-30)48-28(2)46-42(5,6)44(48,9)10;2*1-37(2)21-41-35(39-37)25-13-9-23(10-14-25)27-17-18-30-32(19-27)43-33-20-31(28-7-5-6-8-29(28)34(30)33)24-11-15-26(16-12-24)36-40-38(3,4)22-42-36/h9-34H,1-8H3;5-28H,29-30H2,1-4H3;13-28H,1-12H3;11-26H,1-10H3;2*5-20H,21-22H2,1-4H3
InChIKeyGASUXMOXFUEVBP-UHFFFAOYSA-N
XLogP69.57
TPSA230.46 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004033.52
LogP ≤ 569.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole?
The IUPAC name of 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole (CID 158199319) is 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole.
What is the SMILES notation for 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole?
The canonical SMILES for 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole is CC1(C)COC(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4cc(-c5ccc(C6=NC(C)(C)CO6)nc5)ccc34)cn2)=N1.CC1(C)COC(c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(C6=NC(C)(C)CO6)cc5)c5ccccc5c34)cc2)=N1.CC1(C)CSC(c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(C6=NC(C)(C)CS6)cc5)c5ccccc5c34)cc2)=N1.CC1(C)N=C(c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)cc5)c5ccccc5c34)cc2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)C(C)(C)c2c-3ccc3cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)cc4)ccc23)cc1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)cc4)c4ccccc4c23)cc1.
What is the InChIKey of 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole?
The InChIKey is GASUXMOXFUEVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N4S.C49H40N4O2.C47H52N4.C44H46N4S.C38H32N2O2S.C38H32N2S3/c1-51(2)53(5,6)57(40-17-11-9-12-18-40)49(55-51)37-27-23-35(24-28-37)39-31-32-44-46(33-39)59-47-34-45(42-21-15-16-22-43(42)48(44)47)36-25-29-38(30-26-36)50-56-52(3,4)54(7,8)58(50)41-19-13-10-14-20-41;1-47(2)29-54-45(52-47)42-23-18-34(27-50-42)31-15-20-38-33(25-31)17-22-40-39-21-16-32(35-19-24-43(51-28-35)46-53-48(3,4)30-55-46)26-41(39)49(44(38)40,36-11-7-5-8-12-36)37-13-9-6-10-14-37;1-29-48-44(5,6)46(9,10)50(29)36-20-13-31(14-21-36)33-17-24-38-35(27-33)19-26-40-39-25-18-34(28-41(39)43(3,4)42(38)40)32-15-22-37(23-16-32)51-30(2)49-45(7,8)47(51,11)12;1-27-45-41(3,4)43(7,8)47(27)32-20-15-29(16-21-32)31-19-24-36-38(25-31)49-39-26-37(34-13-11-12-14-35(34)40(36)39)30-17-22-33(23-18-30)48-28(2)46-42(5,6)44(48,9)10;2*1-37(2)21-41-35(39-37)25-13-9-23(10-14-25)27-17-18-30-32(19-27)43-33-20-31(28-7-5-6-8-29(28)34(30)33)24-11-15-26(16-12-24)36-40-38(3,4)22-42-36/h9-34H,1-8H3;5-28H,29-30H2,1-4H3;13-28H,1-12H3;11-26H,1-10H3;2*5-20H,21-22H2,1-4H3.
What are the key properties of 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole?
2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole has a molecular weight of 4033.52 g/mol, XLogP of 69.57, 28 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-11,11-diphenylbenzo[a]fluoren-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;1-[4-[11,11-dimethyl-3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[a]fluoren-9-yl]phenyl]-2,4,4,5,5-pentamethylimidazole;2-[4-[5-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2,4,4,5,5-pentamethyl-1-[4-[5-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphtho[2,1-b][1]benzothiol-9-yl]phenyl]imidazole is sourced from PubChem (CID 158199319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).