2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole

C264H161N19O10S — CID 158206580

IUPAC2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1cc(-c2cccc3ccccc23)cc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6n5-c5ccccc5)ccc43)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)cc1.c1ccc2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7s6)ccc54)cc3)cccc2c1
InChIInChI=1S/C48H30N4O.3C44H27N3O2.C42H25N3O2.C42H25N3OS/c1-3-13-31(14-4-1)35-25-28-42(37-18-8-7-17-36(35)37)52-43-26-23-32(47-49-40-19-9-11-21-45(40)51(47)34-15-5-2-6-16-34)29-38(43)39-30-33(24-27-44(39)52)48-50-41-20-10-12-22-46(41)53-48;1-3-11-28(12-4-1)30-19-22-38(33(25-30)29-13-5-2-6-14-29)47-39-23-20-31(43-45-36-15-7-9-17-41(36)48-43)26-34(39)35-27-32(21-24-40(35)47)44-46-37-16-8-10-18-42(37)49-44;1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)47-39-21-19-30(43-45-37-15-7-9-17-41(37)48-43)26-35(39)36-27-31(20-22-40(36)47)44-46-38-16-8-10-18-42(38)49-44;1-2-10-28(11-3-1)33-12-4-5-13-34(33)29-18-22-32(23-19-29)47-39-24-20-30(43-45-37-14-6-8-16-41(37)48-43)26-35(39)36-27-31(21-25-40(36)47)44-46-38-15-7-9-17-42(38)49-44;1-2-13-31-26(9-1)10-8-14-32(31)27-11-7-12-30(23-27)45-37-21-19-28(41-43-35-15-3-5-17-39(35)46-41)24-33(37)34-25-29(20-22-38(34)45)42-44-36-16-4-6-18-40(36)47-42;1-2-10-31-26(8-1)9-7-11-32(31)27-16-20-30(21-17-27)45-37-22-18-28(41-43-35-12-3-5-14-39(35)46-41)24-33(37)34-25-29(19-23-38(34)45)42-44-36-13-4-6-15-40(36)47-42/h1-30H;3*1-27H;2*1-25H
InChIKeyGBOLKGGDMUECHY-UHFFFAOYSA-N
MW3791.38 g/mol
LogP70.53
Rot. Bonds28

About 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole

2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole (PubChem CID 158206580) has the molecular formula C264H161N19O10S and a molecular weight of 3791.38 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole
PubChem CID158206580
Molecular FormulaC264H161N19O10S
Molecular Weight3791.38 g/mol
Exact Mass3788.24
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1cc(-c2cccc3ccccc23)cc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6n5-c5ccccc5)ccc43)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)cc1.c1ccc2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7s6)ccc54)cc3)cccc2c1
InChIInChI=1S/C48H30N4O.3C44H27N3O2.C42H25N3O2.C42H25N3OS/c1-3-13-31(14-4-1)35-25-28-42(37-18-8-7-17-36(35)37)52-43-26-23-32(47-49-40-19-9-11-21-45(40)51(47)34-15-5-2-6-16-34)29-38(43)39-30-33(24-27-44(39)52)48-50-41-20-10-12-22-46(41)53-48;1-3-11-28(12-4-1)30-19-22-38(33(25-30)29-13-5-2-6-14-29)47-39-23-20-31(43-45-36-15-7-9-17-41(36)48-43)26-34(39)35-27-32(21-24-40(35)47)44-46-37-16-8-10-18-42(37)49-44;1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)47-39-21-19-30(43-45-37-15-7-9-17-41(37)48-43)26-35(39)36-27-31(20-22-40(36)47)44-46-38-16-8-10-18-42(38)49-44;1-2-10-28(11-3-1)33-12-4-5-13-34(33)29-18-22-32(23-19-29)47-39-24-20-30(43-45-37-14-6-8-16-41(37)48-43)26-35(39)36-27-31(21-25-40(36)47)44-46-38-15-7-9-17-42(38)49-44;1-2-13-31-26(9-1)10-8-14-32(31)27-11-7-12-30(23-27)45-37-21-19-28(41-43-35-15-3-5-17-39(35)46-41)24-33(37)34-25-29(20-22-38(34)45)42-44-36-16-4-6-18-40(36)47-42;1-2-10-31-26(8-1)9-7-11-32(31)27-16-20-30(21-17-27)45-37-22-18-28(41-43-35-12-3-5-14-39(35)46-41)24-33(37)34-25-29(19-23-38(34)45)42-44-36-13-4-6-15-40(36)47-42/h1-30H;3*1-27H;2*1-25H
InChIKeyGBOLKGGDMUECHY-UHFFFAOYSA-N
XLogP70.53
TPSA320.59 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003791.38
LogP ≤ 570.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole with MolForge

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Related Compounds

1-[1,3-dimethyl-2-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]propan-2-one;2-[1,3-dimethyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]acetonitrile;phenyl 2-[1,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]acetate;propyl 2-[1,3-dimethyl-2-[3-(3-methyl-1H-benzimidazol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]acetate;trifluoromethyl 2-[2-[(E,3E)-3-[1-(cyanomethyl)-1,3-dimethylbenzo[e]indol-2-ylidene]prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium-1-yl]acetate
CID 157809284
bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[2-(furan-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[6-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide
CID 158153032
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-naphthalen-1-ylphenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 161805195
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3,5-bis[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-naphthalen-1-ylphenyl]-1,3-benzothiazole;2-[3-[4-[3,5-bis[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 161843635
2-[3-Anthracen-9-yl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-[4-anthracen-9-yl-6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]-1,3-benzoxazole;2-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzothiazole;2-[3-(1,10-phenanthrolin-5-yl)-5-[3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-quinoxalin-5-ylpyrimidin-4-yl]-1,3-benzoxazole
CID 161951747
N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-naphthalen-1-ylnaphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-naphthalen-2-ylnaphthalen-2-amine
CID 167572337
3-Dibenzofuran-4-yl-2-(1-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole
CID 156660491
2-Dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole
CID 167355045
9-Fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
CID 176644217
8-(3-Dibenzofuran-4-ylbenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine
CID 176644318
9-Fluoro-4-[3-(1-methyldibenzofuran-4-yl)benzo[f]benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
CID 176644435
3-[2-[3-[5-(1,3-Benzothiazol-2-yloxy)-1-ethyl-3-methylbenzimidazol-2-ylidene]prop-1-enyl]-6-(1,3-benzoxazol-2-yl)-3-phenylbenzimidazol-1-ium-1-yl]propane-1-sulfonic acid
CID 4549743

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole (CID 158206580) is 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole is c1cc(-c2cccc3ccccc23)cc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6n5-c5ccccc5)ccc43)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)cc1.c1ccc2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7s6)ccc54)cc3)cccc2c1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is GBOLKGGDMUECHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O.3C44H27N3O2.C42H25N3O2.C42H25N3OS/c1-3-13-31(14-4-1)35-25-28-42(37-18-8-7-17-36(35)37)52-43-26-23-32(47-49-40-19-9-11-21-45(40)51(47)34-15-5-2-6-16-34)29-38(43)39-30-33(24-27-44(39)52)48-50-41-20-10-12-22-46(41)53-48;1-3-11-28(12-4-1)30-19-22-38(33(25-30)29-13-5-2-6-14-29)47-39-23-20-31(43-45-36-15-7-9-17-41(36)48-43)26-34(39)35-27-32(21-24-40(35)47)44-46-37-16-8-10-18-42(37)49-44;1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)47-39-21-19-30(43-45-37-15-7-9-17-41(37)48-43)26-35(39)36-27-31(20-22-40(36)47)44-46-38-16-8-10-18-42(38)49-44;1-2-10-28(11-3-1)33-12-4-5-13-34(33)29-18-22-32(23-19-29)47-39-24-20-30(43-45-37-14-6-8-16-41(37)48-43)26-35(39)36-27-31(21-25-40(36)47)44-46-38-15-7-9-17-42(38)49-44;1-2-13-31-26(9-1)10-8-14-32(31)27-11-7-12-30(23-27)45-37-21-19-28(41-43-35-15-3-5-17-39(35)46-41)24-33(37)34-25-29(20-22-38(34)45)42-44-36-16-4-6-18-40(36)47-42;1-2-10-31-26(8-1)9-7-11-32(31)27-16-20-30(21-17-27)45-37-22-18-28(41-43-35-12-3-5-14-39(35)46-41)24-33(37)34-25-29(19-23-38(34)45)42-44-36-13-4-6-15-40(36)47-42/h1-30H;3*1-27H;2*1-25H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole?
2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 3791.38 g/mol, XLogP of 70.53, 28 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)-9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(2,4-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2-phenylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1-phenylbenzimidazol-2-yl)-9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 158206580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).