2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole

C180H126N6S3 — CID 159745382

IUPAC2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)C(C)(C)c7c-8ccc8sc9ccccc9c78)c6c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C(C)(C)c5c-6ccc6sc7ccccc7c56)cc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)C(C)(C)c7c-8ccc8sc9ccccc9c78)c6c5)cc43)cc21
InChIInChI=1S/3C60H42N2S/c1-59(2)48-17-9-5-13-39(48)40-26-23-38(33-49(40)59)62-51-18-10-6-14-42(51)44-25-21-36(32-54(44)62)35-22-29-53-47(31-35)43-15-7-11-19-52(43)61(53)37-24-27-41-45-28-30-56-57(46-16-8-12-20-55(46)63-56)58(45)60(3,4)50(41)34-37;1-59(2)48-17-9-5-13-39(48)40-26-23-37(33-49(40)59)61-52-19-11-7-15-43(52)47-31-35(22-29-53(47)61)36-21-25-44-42-14-6-10-18-51(42)62(54(44)32-36)38-24-27-41-45-28-30-56-57(46-16-8-12-20-55(46)63-56)58(45)60(3,4)50(41)34-38;1-59(2)48-17-9-5-13-39(48)40-27-23-37(33-49(40)59)61-51-18-10-6-14-42(51)44-25-21-35(31-53(44)61)36-22-26-45-43-15-7-11-19-52(43)62(54(45)32-36)38-24-28-41-46-29-30-56-57(47-16-8-12-20-55(47)63-56)58(46)60(3,4)50(41)34-38/h3*5-34H,1-4H3
InChIKeyNCZCDPGPRGRKBR-UHFFFAOYSA-N
MW2469.23 g/mol
LogP49.58
Rot. Bonds9

About 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole

2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole (PubChem CID 159745382) has the molecular formula C180H126N6S3 and a molecular weight of 2469.23 g/mol. Its IUPAC name is 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole.

Molecular Properties

Compound Name2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
PubChem CID159745382
Molecular FormulaC180H126N6S3
Molecular Weight2469.23 g/mol
Exact Mass2466.92
IUPAC Name2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)C(C)(C)c7c-8ccc8sc9ccccc9c78)c6c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C(C)(C)c5c-6ccc6sc7ccccc7c56)cc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)C(C)(C)c7c-8ccc8sc9ccccc9c78)c6c5)cc43)cc21
InChIInChI=1S/3C60H42N2S/c1-59(2)48-17-9-5-13-39(48)40-26-23-38(33-49(40)59)62-51-18-10-6-14-42(51)44-25-21-36(32-54(44)62)35-22-29-53-47(31-35)43-15-7-11-19-52(43)61(53)37-24-27-41-45-28-30-56-57(46-16-8-12-20-55(46)63-56)58(45)60(3,4)50(41)34-37;1-59(2)48-17-9-5-13-39(48)40-26-23-37(33-49(40)59)61-52-19-11-7-15-43(52)47-31-35(22-29-53(47)61)36-21-25-44-42-14-6-10-18-51(42)62(54(44)32-36)38-24-27-41-45-28-30-56-57(46-16-8-12-20-55(46)63-56)58(45)60(3,4)50(41)34-38;1-59(2)48-17-9-5-13-39(48)40-27-23-37(33-49(40)59)61-51-18-10-6-14-42(51)44-25-21-35(31-53(44)61)36-22-26-45-43-15-7-11-19-52(43)62(54(45)32-36)38-24-28-41-46-29-30-56-57(47-16-8-12-20-55(47)63-56)58(46)60(3,4)50(41)34-38/h3*5-34H,1-4H3
InChIKeyNCZCDPGPRGRKBR-UHFFFAOYSA-N
XLogP49.58
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms189
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002469.23
LogP ≤ 549.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole with MolForge

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Related Compounds

3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099001
3-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-9-yl)-9-phenylcarbazole
CID 118099081
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7,7-dimethyl-5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 161187955
3-dibenzofuran-2-yl-9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-(4-phenylphenyl)carbazole
CID 118098960
9-(9-dibenzothiophen-1-yldibenzofuran-2-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole
CID 170285565
5-(7-dibenzothiophen-3-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 170279174
5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-dibenzothiophen-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126632745
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138577563
2-dibenzofuran-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzothiophen-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3,6-diphenyl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158234145
14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118503122
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398

Frequently Asked Questions

What is the IUPAC name of 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole?
The IUPAC name of 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole (CID 159745382) is 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole.
What is the SMILES notation for 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole?
The canonical SMILES for 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)C(C)(C)c7c-8ccc8sc9ccccc9c78)c6c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C(C)(C)c5c-6ccc6sc7ccccc7c56)cc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)C(C)(C)c7c-8ccc8sc9ccccc9c78)c6c5)cc43)cc21.
What is the InChIKey of 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole?
The InChIKey is NCZCDPGPRGRKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C60H42N2S/c1-59(2)48-17-9-5-13-39(48)40-26-23-38(33-49(40)59)62-51-18-10-6-14-42(51)44-25-21-36(32-54(44)62)35-22-29-53-47(31-35)43-15-7-11-19-52(43)61(53)37-24-27-41-45-28-30-56-57(46-16-8-12-20-55(46)63-56)58(45)60(3,4)50(41)34-37;1-59(2)48-17-9-5-13-39(48)40-26-23-37(33-49(40)59)61-52-19-11-7-15-43(52)47-31-35(22-29-53(47)61)36-21-25-44-42-14-6-10-18-51(42)62(54(44)32-36)38-24-27-41-45-28-30-56-57(46-16-8-12-20-55(46)63-56)58(45)60(3,4)50(41)34-38;1-59(2)48-17-9-5-13-39(48)40-27-23-37(33-49(40)59)61-51-18-10-6-14-42(51)44-25-21-35(31-53(44)61)36-22-26-45-43-15-7-11-19-52(43)62(54(45)32-36)38-24-28-41-46-29-30-56-57(47-16-8-12-20-55(47)63-56)58(46)60(3,4)50(41)34-38/h3*5-34H,1-4H3.
What are the key properties of 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole?
2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole has a molecular weight of 2469.23 g/mol, XLogP of 49.58, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole is sourced from PubChem (CID 159745382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).