2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole

C279H166N24O8S4 — CID 157489347

IUPAC2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3cc3c(-c4ccc(-n5c6ccc(-c7nc8ccccc8o7)cc6c6cc(-c7nc8ccccc8o7)ccc65)cc4)cccc23)cc1.c1ccc(-c2cccc3c2nc(-n2c4ccc(-c5nc6cccc(-c7ccccc7)c6o5)cc4c4cc(-c5nc6ccccc6s5)ccc42)n3-c2ccccc2)cc1.c1ccc(-c2cccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5n4-c4ccccc4)oc23)cc1.c1ccc(-n2c(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6cc7ccccc7cc6s5)ccc43)nc3ccccc32)cc1.c1ccc2cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)ccc2c1
InChIInChI=1S/2C52H31N3O2.C51H31N5OS.C45H27N5OS.C43H25N5OS.C36H21N3OS/c1-2-12-32(13-3-1)49-37-14-4-6-16-39(37)50(40-17-7-5-15-38(40)49)33-22-26-36(27-23-33)55-45-28-24-34(51-53-43-18-8-10-20-47(43)56-51)30-41(45)42-31-35(25-29-46(42)55)52-54-44-19-9-11-21-48(44)57-52;1-2-11-33(12-3-1)50-39-14-5-4-13-34(39)29-41-38(15-10-16-40(41)50)32-21-25-37(26-22-32)55-46-27-23-35(51-53-44-17-6-8-19-48(44)56-51)30-42(46)43-31-36(24-28-47(43)55)52-54-45-18-7-9-20-49(45)57-52;1-4-14-32(15-5-1)37-20-13-24-45-47(37)54-51(55(45)36-18-8-3-9-19-36)56-43-28-26-34(49-52-42-23-12-21-38(48(42)57-49)33-16-6-2-7-17-33)30-39(43)40-31-35(27-29-44(40)56)50-53-41-22-10-11-25-46(41)58-50;1-3-12-28(13-4-1)32-16-11-19-37-42(32)51-43(46-37)29-22-24-38-33(26-29)34-27-30(44-47-36-18-8-10-21-41(36)52-44)23-25-39(34)50(38)45-48-35-17-7-9-20-40(35)49(45)31-14-5-2-6-15-31;1-2-12-30(13-3-1)47-38-16-8-6-14-33(38)46-43(47)48-36-20-18-28(41-44-34-15-7-9-17-39(34)49-41)22-31(36)32-23-29(19-21-37(32)48)42-45-35-24-26-10-4-5-11-27(26)25-40(35)50-42;1-2-8-23-19-26(16-13-22(23)7-1)39-31-17-14-24(35-37-29-9-3-5-11-33(29)40-35)20-27(31)28-21-25(15-18-32(28)39)36-38-30-10-4-6-12-34(30)41-36/h2*1-31H;1-31H;1-27H;1-25H;1-21H
InChIKeyBXBXVYAZMJJVKT-UHFFFAOYSA-N
MW4110.82 g/mol
LogP74.88
Rot. Bonds28

About 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole

2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole (PubChem CID 157489347) has the molecular formula C279H166N24O8S4 and a molecular weight of 4110.82 g/mol. Its IUPAC name is 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
PubChem CID157489347
Molecular FormulaC279H166N24O8S4
Molecular Weight4110.82 g/mol
Exact Mass4107.22
IUPAC Name2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3cc3c(-c4ccc(-n5c6ccc(-c7nc8ccccc8o7)cc6c6cc(-c7nc8ccccc8o7)ccc65)cc4)cccc23)cc1.c1ccc(-c2cccc3c2nc(-n2c4ccc(-c5nc6cccc(-c7ccccc7)c6o5)cc4c4cc(-c5nc6ccccc6s5)ccc42)n3-c2ccccc2)cc1.c1ccc(-c2cccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5n4-c4ccccc4)oc23)cc1.c1ccc(-n2c(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6cc7ccccc7cc6s5)ccc43)nc3ccccc32)cc1.c1ccc2cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)ccc2c1
InChIInChI=1S/2C52H31N3O2.C51H31N5OS.C45H27N5OS.C43H25N5OS.C36H21N3OS/c1-2-12-32(13-3-1)49-37-14-4-6-16-39(37)50(40-17-7-5-15-38(40)49)33-22-26-36(27-23-33)55-45-28-24-34(51-53-43-18-8-10-20-47(43)56-51)30-41(45)42-31-35(25-29-46(42)55)52-54-44-19-9-11-21-48(44)57-52;1-2-11-33(12-3-1)50-39-14-5-4-13-34(39)29-41-38(15-10-16-40(41)50)32-21-25-37(26-22-32)55-46-27-23-35(51-53-44-17-6-8-19-48(44)56-51)30-42(46)43-31-36(24-28-47(43)55)52-54-45-18-7-9-20-49(45)57-52;1-4-14-32(15-5-1)37-20-13-24-45-47(37)54-51(55(45)36-18-8-3-9-19-36)56-43-28-26-34(49-52-42-23-12-21-38(48(42)57-49)33-16-6-2-7-17-33)30-39(43)40-31-35(27-29-44(40)56)50-53-41-22-10-11-25-46(41)58-50;1-3-12-28(13-4-1)32-16-11-19-37-42(32)51-43(46-37)29-22-24-38-33(26-29)34-27-30(44-47-36-18-8-10-21-41(36)52-44)23-25-39(34)50(38)45-48-35-17-7-9-20-40(35)49(45)31-14-5-2-6-15-31;1-2-12-30(13-3-1)47-38-16-8-6-14-33(38)46-43(47)48-36-20-18-28(41-44-34-15-7-9-17-39(34)49-41)22-31(36)32-23-29(19-21-37(32)48)42-45-35-24-26-10-4-5-11-27(26)25-40(35)50-42;1-2-8-23-19-26(16-13-22(23)7-1)39-31-17-14-24(35-37-29-9-3-5-11-33(29)40-35)20-27(31)28-21-25(15-18-32(28)39)36-38-30-10-4-6-12-34(30)41-36/h2*1-31H;1-31H;1-27H;1-25H;1-21H
InChIKeyBXBXVYAZMJJVKT-UHFFFAOYSA-N
XLogP74.88
TPSA342.84 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004110.82
LogP ≤ 574.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[6-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 162096067
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
18-[1-[2,6-Di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-17-methyl-4-(trifluoromethyl)-20-oxa-5-thia-3-azapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene
CID 172126988
2-[7-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-4-(2-benzylsulfanylphenyl)-3-(1H-indol-2-yl)-2H-1,3-benzothiazol-5-yl]-1,3-benzoxazole
CID 91045967
4-(1,3-benzoxazol-2-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)-2,5-dimethylphenyl]-2,5-dimethylaniline;N,N-bis[2,5-dimethyl-4-(1-methylbenzimidazol-2-yl)phenyl]-2,5-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline
CID 91307579
24-(1,3-Benzothiazol-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502780
12-(1,3-Benzothiazol-2-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 118502781
4-Dibenzothiophen-4-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118551303
4-(9-Phenylcarbazol-3-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118551304
4-Dibenzothiophen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118551305

Frequently Asked Questions

What is the IUPAC name of 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole (CID 157489347) is 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3cc3c(-c4ccc(-n5c6ccc(-c7nc8ccccc8o7)cc6c6cc(-c7nc8ccccc8o7)ccc65)cc4)cccc23)cc1.c1ccc(-c2cccc3c2nc(-n2c4ccc(-c5nc6cccc(-c7ccccc7)c6o5)cc4c4cc(-c5nc6ccccc6s5)ccc42)n3-c2ccccc2)cc1.c1ccc(-c2cccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5n4-c4ccccc4)oc23)cc1.c1ccc(-n2c(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6cc7ccccc7cc6s5)ccc43)nc3ccccc32)cc1.c1ccc2cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)ccc2c1.
What is the InChIKey of 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is BXBXVYAZMJJVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H31N3O2.C51H31N5OS.C45H27N5OS.C43H25N5OS.C36H21N3OS/c1-2-12-32(13-3-1)49-37-14-4-6-16-39(37)50(40-17-7-5-15-38(40)49)33-22-26-36(27-23-33)55-45-28-24-34(51-53-43-18-8-10-20-47(43)56-51)30-41(45)42-31-35(25-29-46(42)55)52-54-44-19-9-11-21-48(44)57-52;1-2-11-33(12-3-1)50-39-14-5-4-13-34(39)29-41-38(15-10-16-40(41)50)32-21-25-37(26-22-32)55-46-27-23-35(51-53-44-17-6-8-19-48(44)56-51)30-42(46)43-31-36(24-28-47(43)55)52-54-45-18-7-9-20-49(45)57-52;1-4-14-32(15-5-1)37-20-13-24-45-47(37)54-51(55(45)36-18-8-3-9-19-36)56-43-28-26-34(49-52-42-23-12-21-38(48(42)57-49)33-16-6-2-7-17-33)30-39(43)40-31-35(27-29-44(40)56)50-53-41-22-10-11-25-46(41)58-50;1-3-12-28(13-4-1)32-16-11-19-37-42(32)51-43(46-37)29-22-24-38-33(26-29)34-27-30(44-47-36-18-8-10-21-41(36)52-44)23-25-39(34)50(38)45-48-35-17-7-9-20-40(35)49(45)31-14-5-2-6-15-31;1-2-12-30(13-3-1)47-38-16-8-6-14-33(38)46-43(47)48-36-20-18-28(41-44-34-15-7-9-17-39(34)49-41)22-31(36)32-23-29(19-21-37(32)48)42-45-35-24-26-10-4-5-11-27(26)25-40(35)50-42;1-2-8-23-19-26(16-13-22(23)7-1)39-31-17-14-24(35-37-29-9-3-5-11-33(29)40-35)20-27(31)28-21-25(15-18-32(28)39)36-38-30-10-4-6-12-34(30)41-36/h2*1-31H;1-31H;1-27H;1-25H;1-21H.
What are the key properties of 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 4110.82 g/mol, XLogP of 74.88, 28 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-naphthalen-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-1-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 157489347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).