2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole

C179H114N12S6 — CID 158903280

IUPAC2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole
SMILESCC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5nc6ccccc6s5)ccc43)ccc2-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5nc6ccccc6s5)ccc43)cc21.CC1(C)c2cc(-n3c4ccc(-c5nc6ccccc6s5)cc4c4c5ccccc5ccc43)ccc2-c2ccc(-n3c4ccc(-c5nc6ccccc6s5)cc4c4c5ccccc5ccc43)cc21.CC1(C)c2cc(-n3c4ccccc4c4cc(-c5nc6ccccc6s5)ccc43)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6s5)ccc43)cc21
InChIInChI=1S/C65H42N4S2.C61H38N4S2.C53H34N4S2/c1-65(2)53-37-45(68-57-29-21-41(39-13-5-3-6-14-39)33-49(57)51-35-43(23-31-59(51)68)63-66-55-17-9-11-19-61(55)70-63)25-27-47(53)48-28-26-46(38-54(48)65)69-58-30-22-42(40-15-7-4-8-16-40)34-50(58)52-36-44(24-32-60(52)69)64-67-56-18-10-12-20-62(56)71-64;1-61(2)47-33-39(64-51-27-21-37(59-62-49-15-7-9-17-55(49)66-59)31-45(51)57-41-13-5-3-11-35(41)19-29-53(57)64)23-25-43(47)44-26-24-40(34-48(44)61)65-52-28-22-38(60-63-50-16-8-10-18-56(50)67-60)32-46(52)58-42-14-6-4-12-36(42)20-30-54(58)65;1-53(2)41-29-33(56-45-15-7-3-11-37(45)39-27-31(19-25-47(39)56)51-54-43-13-5-9-17-49(43)58-51)21-23-35(41)36-24-22-34(30-42(36)53)57-46-16-8-4-12-38(46)40-28-32(20-26-48(40)57)52-55-44-14-6-10-18-50(44)59-52/h3-38H,1-2H3;3-34H,1-2H3;3-30H,1-2H3
InChIKeyJFSHQQIDGGAMFS-UHFFFAOYSA-N
MW2625.37 g/mol
LogP49.86
Rot. Bonds14

About 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole

2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole (PubChem CID 158903280) has the molecular formula C179H114N12S6 and a molecular weight of 2625.37 g/mol. Its IUPAC name is 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole
PubChem CID158903280
Molecular FormulaC179H114N12S6
Molecular Weight2625.37 g/mol
Exact Mass2622.76
IUPAC Name2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole
SMILESCC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5nc6ccccc6s5)ccc43)ccc2-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5nc6ccccc6s5)ccc43)cc21.CC1(C)c2cc(-n3c4ccc(-c5nc6ccccc6s5)cc4c4c5ccccc5ccc43)ccc2-c2ccc(-n3c4ccc(-c5nc6ccccc6s5)cc4c4c5ccccc5ccc43)cc21.CC1(C)c2cc(-n3c4ccccc4c4cc(-c5nc6ccccc6s5)ccc43)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6s5)ccc43)cc21
InChIInChI=1S/C65H42N4S2.C61H38N4S2.C53H34N4S2/c1-65(2)53-37-45(68-57-29-21-41(39-13-5-3-6-14-39)33-49(57)51-35-43(23-31-59(51)68)63-66-55-17-9-11-19-61(55)70-63)25-27-47(53)48-28-26-46(38-54(48)65)69-58-30-22-42(40-15-7-4-8-16-40)34-50(58)52-36-44(24-32-60(52)69)64-67-56-18-10-12-20-62(56)71-64;1-61(2)47-33-39(64-51-27-21-37(59-62-49-15-7-9-17-55(49)66-59)31-45(51)57-41-13-5-3-11-35(41)19-29-53(57)64)23-25-43(47)44-26-24-40(34-48(44)61)65-52-28-22-38(60-63-50-16-8-10-18-56(50)67-60)32-46(52)58-42-14-6-4-12-36(42)20-30-54(58)65;1-53(2)41-29-33(56-45-15-7-3-11-37(45)39-27-31(19-25-47(39)56)51-54-43-13-5-9-17-49(43)58-51)21-23-35(41)36-24-22-34(30-42(36)53)57-46-16-8-4-12-38(46)40-28-32(20-26-48(40)57)52-55-44-14-6-10-18-50(44)59-52/h3-38H,1-2H3;3-34H,1-2H3;3-30H,1-2H3
InChIKeyJFSHQQIDGGAMFS-UHFFFAOYSA-N
XLogP49.86
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.37
LogP ≤ 549.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole
CID 145327611
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
3-[9-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenyl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole
CID 159697484
2-[4-[4-[2-(3-carbazol-9-ylphenyl)benzo[k]phenanthridin-6-yl]phenyl]phenyl]-1,3-benzothiazole
CID 148524117
9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
2-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]-1,3-benzothiazole;2-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]naphthalen-1-yl]-1,3-benzothiazole;2-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]naphthalen-1-yl]-1,3-benzothiazole;2-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]naphthalen-1-yl]-1,3-benzothiazole
CID 159144378
7-carbazol-9-yl-N-[3-[4-[3-[10-(2,6-dimethylphenyl)benzo[c]carbazol-7-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 134370791
2-[3-(1,3-benzothiazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-1,3-benzothiazole
CID 164803725
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 157299718

Frequently Asked Questions

What is the IUPAC name of 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole?
The IUPAC name of 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole (CID 158903280) is 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole is CC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5nc6ccccc6s5)ccc43)ccc2-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5nc6ccccc6s5)ccc43)cc21.CC1(C)c2cc(-n3c4ccc(-c5nc6ccccc6s5)cc4c4c5ccccc5ccc43)ccc2-c2ccc(-n3c4ccc(-c5nc6ccccc6s5)cc4c4c5ccccc5ccc43)cc21.CC1(C)c2cc(-n3c4ccccc4c4cc(-c5nc6ccccc6s5)ccc43)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6s5)ccc43)cc21.
What is the InChIKey of 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole?
The InChIKey is JFSHQQIDGGAMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N4S2.C61H38N4S2.C53H34N4S2/c1-65(2)53-37-45(68-57-29-21-41(39-13-5-3-6-14-39)33-49(57)51-35-43(23-31-59(51)68)63-66-55-17-9-11-19-61(55)70-63)25-27-47(53)48-28-26-46(38-54(48)65)69-58-30-22-42(40-15-7-4-8-16-40)34-50(58)52-36-44(24-32-60(52)69)64-67-56-18-10-12-20-62(56)71-64;1-61(2)47-33-39(64-51-27-21-37(59-62-49-15-7-9-17-55(49)66-59)31-45(51)57-41-13-5-3-11-35(41)19-29-53(57)64)23-25-43(47)44-26-24-40(34-48(44)61)65-52-28-22-38(60-63-50-16-8-10-18-56(50)67-60)32-46(52)58-42-14-6-4-12-36(42)20-30-54(58)65;1-53(2)41-29-33(56-45-15-7-3-11-37(45)39-27-31(19-25-47(39)56)51-54-43-13-5-9-17-49(43)58-51)21-23-35(41)36-24-22-34(30-42(36)53)57-46-16-8-4-12-38(46)40-28-32(20-26-48(40)57)52-55-44-14-6-10-18-50(44)59-52/h3-38H,1-2H3;3-34H,1-2H3;3-30H,1-2H3.
What are the key properties of 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole?
2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole has a molecular weight of 2625.37 g/mol, XLogP of 49.86, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 158903280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).