2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole

C207H127N9O2S4 — CID 162043532

IUPAC2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6sc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)nc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6sc(-c7ccc8oc9ccccc9c8c7)nc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6sc(-c7cccc8c7oc7ccccc78)nc56)cc4)ccc32)cc1
InChIInChI=1S/C73H45N3S2.2C67H41N3OS/c1-3-14-54(15-4-1)75-65-23-10-7-18-59(65)63-44-52(38-42-67(63)75)46-26-30-48(31-27-46)56-40-41-58(50-32-28-47(29-33-50)53-39-43-68-64(45-53)60-19-8-11-24-66(60)76(68)55-16-5-2-6-17-55)72-70(56)74-73(78-72)51-36-34-49(35-37-51)57-21-13-22-62-61-20-9-12-25-69(61)77-71(57)62;1-3-14-48(15-4-1)69-59-23-10-7-18-52(59)57-40-46(34-38-61(57)69)42-26-30-44(31-27-42)50-36-37-51(66-64(50)68-67(72-66)56-22-13-21-55-54-20-9-12-25-63(54)71-65(55)56)45-32-28-43(29-33-45)47-35-39-62-58(41-47)53-19-8-11-24-60(53)70(62)49-16-5-2-6-17-49;1-3-13-49(14-4-1)69-59-20-10-7-17-53(59)56-39-46(31-36-61(56)69)42-23-27-44(28-24-42)51-34-35-52(66-65(51)68-67(72-66)48-33-38-64-58(41-48)55-19-9-12-22-63(55)71-64)45-29-25-43(26-30-45)47-32-37-62-57(40-47)54-18-8-11-21-60(54)70(62)50-15-5-2-6-16-50/h1-45H;2*1-41H
InChIKeyYXPDPWUYHOTFGE-UHFFFAOYSA-N
MW2900.62 g/mol
LogP58.31
Rot. Bonds22

About 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole

2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole (PubChem CID 162043532) has the molecular formula C207H127N9O2S4 and a molecular weight of 2900.62 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole
PubChem CID162043532
Molecular FormulaC207H127N9O2S4
Molecular Weight2900.62 g/mol
Exact Mass2897.90
IUPAC Name2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6sc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)nc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6sc(-c7ccc8oc9ccccc9c8c7)nc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6sc(-c7cccc8c7oc7ccccc78)nc56)cc4)ccc32)cc1
InChIInChI=1S/C73H45N3S2.2C67H41N3OS/c1-3-14-54(15-4-1)75-65-23-10-7-18-59(65)63-44-52(38-42-67(63)75)46-26-30-48(31-27-46)56-40-41-58(50-32-28-47(29-33-50)53-39-43-68-64(45-53)60-19-8-11-24-66(60)76(68)55-16-5-2-6-17-55)72-70(56)74-73(78-72)51-36-34-49(35-37-51)57-21-13-22-62-61-20-9-12-25-69(61)77-71(57)62;1-3-14-48(15-4-1)69-59-23-10-7-18-52(59)57-40-46(34-38-61(57)69)42-26-30-44(31-27-42)50-36-37-51(66-64(50)68-67(72-66)56-22-13-21-55-54-20-9-12-25-63(54)71-65(55)56)45-32-28-43(29-33-45)47-35-39-62-58(41-47)53-19-8-11-24-60(53)70(62)49-16-5-2-6-17-49;1-3-13-49(14-4-1)69-59-20-10-7-17-53(59)56-39-46(31-36-61(56)69)42-23-27-44(28-24-42)51-34-35-52(66-65(51)68-67(72-66)48-33-38-64-58(41-48)55-19-9-12-22-63(55)71-64)45-29-25-43(26-30-45)47-32-37-62-57(40-47)54-18-8-11-21-60(54)70(62)50-15-5-2-6-16-50/h1-45H;2*1-41H
InChIKeyYXPDPWUYHOTFGE-UHFFFAOYSA-N
XLogP58.31
TPSA94.53 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002900.62
LogP ≤ 558.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzothiophene;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzothiophene;9-phenyl-3-(6-tetraphenylen-2-yldibenzothiophen-2-yl)carbazole;2-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran;4-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 158156086
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 161408674
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 137474285
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 157185893
4,7-bis(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-1,3-benzothiazole
CID 121425788
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
3-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158230973
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
6-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-2-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-4-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzothiophen-2-yl)carbazole
CID 163586806
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole (CID 162043532) is 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6sc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)nc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6sc(-c7ccc8oc9ccccc9c8c7)nc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6sc(-c7cccc8c7oc7ccccc78)nc56)cc4)ccc32)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole?
The InChIKey is YXPDPWUYHOTFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45N3S2.2C67H41N3OS/c1-3-14-54(15-4-1)75-65-23-10-7-18-59(65)63-44-52(38-42-67(63)75)46-26-30-48(31-27-46)56-40-41-58(50-32-28-47(29-33-50)53-39-43-68-64(45-53)60-19-8-11-24-66(60)76(68)55-16-5-2-6-17-55)72-70(56)74-73(78-72)51-36-34-49(35-37-51)57-21-13-22-62-61-20-9-12-25-69(61)77-71(57)62;1-3-14-48(15-4-1)69-59-23-10-7-18-52(59)57-40-46(34-38-61(57)69)42-26-30-44(31-27-42)50-36-37-51(66-64(50)68-67(72-66)56-22-13-21-55-54-20-9-12-25-63(54)71-65(55)56)45-32-28-43(29-33-45)47-35-39-62-58(41-47)53-19-8-11-24-60(53)70(62)49-16-5-2-6-17-49;1-3-13-49(14-4-1)69-59-20-10-7-17-53(59)56-39-46(31-36-61(56)69)42-23-27-44(28-24-42)51-34-35-52(66-65(51)68-67(72-66)48-33-38-64-58(41-48)55-19-9-12-22-63(55)71-64)45-29-25-43(26-30-45)47-32-37-62-57(40-47)54-18-8-11-21-60(54)70(62)50-15-5-2-6-16-50/h1-45H;2*1-41H.
What are the key properties of 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole?
2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole has a molecular weight of 2900.62 g/mol, XLogP of 58.31, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 162043532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).