2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole

C301H192N14O6S8 — CID 161310026

IUPAC2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole
SMILESCC1(C)c2cc(-c3ccc(-c4ncco4)cc3)c3ccccc3c2-c2c1cc(-c1ccc(-c3ncco3)cc1)c1ccccc21.CC1(C)c2cc(-c3ccc(-c4nccs4)cc3)c3ccccc3c2-c2c1cc(-c1ccc(-c3nccs3)cc1)c1ccccc21.c1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5nccs5)cc4)c4ccccc4c3-c3c2cc(-c2ccc(-c4nccs4)cc2)c2ccccc32)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ncco5)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4ncco4)cc3)c2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nccs5)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4nccs4)cc3)c2c1.c1ccc2c(-c3ccc(-c4ccc(-c5ncco5)cc4)c4ccccc34)ccc(-c3ccc(-c4ncco4)cc3)c2c1.c1ccc2c(-c3ccc(-c4ccc(-c5nccs5)cc4)c4ccccc34)ccc(-c3ccc(-c4nccs4)cc3)c2c1
InChIInChI=1S/C51H32N2S2.C46H28N2O2.C46H28N2S2.C41H28N2O2.C41H28N2S2.C38H24N2O2.C38H24N2S2/c1-3-11-37(12-4-1)51(38-13-5-2-6-14-38)45-31-43(33-19-23-35(24-20-33)49-52-27-29-54-49)39-15-7-9-17-41(39)47(45)48-42-18-10-8-16-40(42)44(32-46(48)51)34-21-25-36(26-22-34)50-53-28-30-55-50;2*1-5-13-37-33(9-1)41(29-17-21-31(22-18-29)45-47-25-27-49-45)34-10-2-6-14-38(34)43(37)44-39-15-7-3-11-35(39)42(36-12-4-8-16-40(36)44)30-19-23-32(24-20-30)46-48-26-28-50-46;2*1-41(2)35-23-33(25-11-15-27(16-12-25)39-42-19-21-44-39)29-7-3-5-9-31(29)37(35)38-32-10-6-4-8-30(32)34(24-36(38)41)26-13-17-28(18-14-26)40-43-20-22-45-40;2*1-3-7-33-31(5-1)29(25-9-13-27(14-10-25)37-39-21-23-41-37)17-19-35(33)36-20-18-30(32-6-2-4-8-34(32)36)26-11-15-28(16-12-26)38-40-22-24-42-38/h1-32H;2*1-28H;2*3-24H,1-2H3;2*1-24H
InChIKeyVITKVYPECYRERB-UHFFFAOYSA-N
MW4357.47 g/mol
LogP84.46
Rot. Bonds34

About 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole

2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole (PubChem CID 161310026) has the molecular formula C301H192N14O6S8 and a molecular weight of 4357.47 g/mol. Its IUPAC name is 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole
PubChem CID161310026
Molecular FormulaC301H192N14O6S8
Molecular Weight4357.47 g/mol
Exact Mass4353.29
IUPAC Name2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole
SMILESCC1(C)c2cc(-c3ccc(-c4ncco4)cc3)c3ccccc3c2-c2c1cc(-c1ccc(-c3ncco3)cc1)c1ccccc21.CC1(C)c2cc(-c3ccc(-c4nccs4)cc3)c3ccccc3c2-c2c1cc(-c1ccc(-c3nccs3)cc1)c1ccccc21.c1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5nccs5)cc4)c4ccccc4c3-c3c2cc(-c2ccc(-c4nccs4)cc2)c2ccccc32)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ncco5)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4ncco4)cc3)c2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nccs5)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4nccs4)cc3)c2c1.c1ccc2c(-c3ccc(-c4ccc(-c5ncco5)cc4)c4ccccc34)ccc(-c3ccc(-c4ncco4)cc3)c2c1.c1ccc2c(-c3ccc(-c4ccc(-c5nccs5)cc4)c4ccccc34)ccc(-c3ccc(-c4nccs4)cc3)c2c1
InChIInChI=1S/C51H32N2S2.C46H28N2O2.C46H28N2S2.C41H28N2O2.C41H28N2S2.C38H24N2O2.C38H24N2S2/c1-3-11-37(12-4-1)51(38-13-5-2-6-14-38)45-31-43(33-19-23-35(24-20-33)49-52-27-29-54-49)39-15-7-9-17-41(39)47(45)48-42-18-10-8-16-40(42)44(32-46(48)51)34-21-25-36(26-22-34)50-53-28-30-55-50;2*1-5-13-37-33(9-1)41(29-17-21-31(22-18-29)45-47-25-27-49-45)34-10-2-6-14-38(34)43(37)44-39-15-7-3-11-35(39)42(36-12-4-8-16-40(36)44)30-19-23-32(24-20-30)46-48-26-28-50-46;2*1-41(2)35-23-33(25-11-15-27(16-12-25)39-42-19-21-44-39)29-7-3-5-9-31(29)37(35)38-32-10-6-4-8-30(32)34(24-36(38)41)26-13-17-28(18-14-26)40-43-20-22-45-40;2*1-3-7-33-31(5-1)29(25-9-13-27(14-10-25)37-39-21-23-41-37)17-19-35(33)36-20-18-30(32-6-2-4-8-34(32)36)26-11-15-28(16-12-26)38-40-22-24-42-38/h1-32H;2*1-28H;2*3-24H,1-2H3;2*1-24H
InChIKeyVITKVYPECYRERB-UHFFFAOYSA-N
XLogP84.46
TPSA259.30 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms329
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004357.47
LogP ≤ 584.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole (CID 161310026) is 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole is CC1(C)c2cc(-c3ccc(-c4ncco4)cc3)c3ccccc3c2-c2c1cc(-c1ccc(-c3ncco3)cc1)c1ccccc21.CC1(C)c2cc(-c3ccc(-c4nccs4)cc3)c3ccccc3c2-c2c1cc(-c1ccc(-c3nccs3)cc1)c1ccccc21.c1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5nccs5)cc4)c4ccccc4c3-c3c2cc(-c2ccc(-c4nccs4)cc2)c2ccccc32)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ncco5)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4ncco4)cc3)c2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nccs5)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4nccs4)cc3)c2c1.c1ccc2c(-c3ccc(-c4ccc(-c5ncco5)cc4)c4ccccc34)ccc(-c3ccc(-c4ncco4)cc3)c2c1.c1ccc2c(-c3ccc(-c4ccc(-c5nccs5)cc4)c4ccccc34)ccc(-c3ccc(-c4nccs4)cc3)c2c1.
What is the InChIKey of 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole?
The InChIKey is VITKVYPECYRERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2S2.C46H28N2O2.C46H28N2S2.C41H28N2O2.C41H28N2S2.C38H24N2O2.C38H24N2S2/c1-3-11-37(12-4-1)51(38-13-5-2-6-14-38)45-31-43(33-19-23-35(24-20-33)49-52-27-29-54-49)39-15-7-9-17-41(39)47(45)48-42-18-10-8-16-40(42)44(32-46(48)51)34-21-25-36(26-22-34)50-53-28-30-55-50;2*1-5-13-37-33(9-1)41(29-17-21-31(22-18-29)45-47-25-27-49-45)34-10-2-6-14-38(34)43(37)44-39-15-7-3-11-35(39)42(36-12-4-8-16-40(36)44)30-19-23-32(24-20-30)46-48-26-28-50-46;2*1-41(2)35-23-33(25-11-15-27(16-12-25)39-42-19-21-44-39)29-7-3-5-9-31(29)37(35)38-32-10-6-4-8-30(32)34(24-36(38)41)26-13-17-28(18-14-26)40-43-20-22-45-40;2*1-3-7-33-31(5-1)29(25-9-13-27(14-10-25)37-39-21-23-41-37)17-19-35(33)36-20-18-30(32-6-2-4-8-34(32)36)26-11-15-28(16-12-26)38-40-22-24-42-38/h1-32H;2*1-28H;2*3-24H,1-2H3;2*1-24H.
What are the key properties of 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole?
2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole has a molecular weight of 4357.47 g/mol, XLogP of 84.46, 34 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 161310026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).