9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene

C180H108N6S7 — CID 162040237

IUPAC9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene
SMILESc1cc(-c2ccc3sc4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc3c2sc2ccccc23)c(-c2cccc3c2sc2ccccc23)c(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc3c2sc2ccccc23)c(-n2c3ccccc3c3ccccc32)c(-c2cccc3c2sc2ccccc23)c1.c1ccc2c(c1)sc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12
InChIInChI=1S/C48H29N3S.C48H30N2S.C42H25NS2.C42H24S3/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)39-28-31(50-43-18-8-3-13-35(43)36-14-4-9-19-44(36)50)22-25-46(39)51(45)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48;1-5-19-43-37(15-1)38-16-2-6-20-44(38)49(43)35-13-9-11-31(27-35)33-23-25-47-41(29-33)42-30-34(24-26-48(42)51-47)32-12-10-14-36(28-32)50-45-21-7-3-17-39(45)40-18-4-8-22-46(40)50;1-5-22-36-26(12-1)27-13-2-6-23-37(27)43(36)40-30(34-20-10-18-32-28-14-3-7-24-38(28)44-41(32)34)16-9-17-31(40)35-21-11-19-33-29-15-4-8-25-39(29)45-42(33)35;1-4-22-36-25(11-1)30-16-8-19-33(40(30)43-36)28-14-7-15-29(34-20-9-17-31-26-12-2-5-23-37(26)44-41(31)34)39(28)35-21-10-18-32-27-13-3-6-24-38(27)45-42(32)35/h1-29H;1-30H;1-25H;1-24H
InChIKeyYXEHLMQSIJYQQJ-UHFFFAOYSA-N
MW2579.35 g/mol
LogP53.57
Rot. Bonds13

About 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene

9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene (PubChem CID 162040237) has the molecular formula C180H108N6S7 and a molecular weight of 2579.35 g/mol. Its IUPAC name is 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene
PubChem CID162040237
Molecular FormulaC180H108N6S7
Molecular Weight2579.35 g/mol
Exact Mass2576.67
IUPAC Name9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene
SMILESc1cc(-c2ccc3sc4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc3c2sc2ccccc23)c(-c2cccc3c2sc2ccccc23)c(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc3c2sc2ccccc23)c(-n2c3ccccc3c3ccccc32)c(-c2cccc3c2sc2ccccc23)c1.c1ccc2c(c1)sc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12
InChIInChI=1S/C48H29N3S.C48H30N2S.C42H25NS2.C42H24S3/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)39-28-31(50-43-18-8-3-13-35(43)36-14-4-9-19-44(36)50)22-25-46(39)51(45)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48;1-5-19-43-37(15-1)38-16-2-6-20-44(38)49(43)35-13-9-11-31(27-35)33-23-25-47-41(29-33)42-30-34(24-26-48(42)51-47)32-12-10-14-36(28-32)50-45-21-7-3-17-39(45)40-18-4-8-22-46(40)50;1-5-22-36-26(12-1)27-13-2-6-23-37(27)43(36)40-30(34-20-10-18-32-28-14-3-7-24-38(28)44-41(32)34)16-9-17-31(40)35-21-11-19-33-29-15-4-8-25-39(29)45-42(33)35;1-4-22-36-25(11-1)30-16-8-19-33(40(30)43-36)28-14-7-15-29(34-20-9-17-31-26-12-2-5-23-37(26)44-41(31)34)39(28)35-21-10-18-32-27-13-3-6-24-38(27)45-42(32)35/h1-29H;1-30H;1-25H;1-24H
InChIKeyYXEHLMQSIJYQQJ-UHFFFAOYSA-N
XLogP53.57
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002579.35
LogP ≤ 553.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene with MolForge

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Related Compounds

9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436

Frequently Asked Questions

What is the IUPAC name of 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene?
The IUPAC name of 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene (CID 162040237) is 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene.
What is the SMILES notation for 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene?
The canonical SMILES for 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene is c1cc(-c2ccc3sc4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc3c2sc2ccccc23)c(-c2cccc3c2sc2ccccc23)c(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc3c2sc2ccccc23)c(-n2c3ccccc3c3ccccc32)c(-c2cccc3c2sc2ccccc23)c1.c1ccc2c(c1)sc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12.
What is the InChIKey of 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene?
The InChIKey is YXEHLMQSIJYQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S.C48H30N2S.C42H25NS2.C42H24S3/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)39-28-31(50-43-18-8-3-13-35(43)36-14-4-9-19-44(36)50)22-25-46(39)51(45)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48;1-5-19-43-37(15-1)38-16-2-6-20-44(38)49(43)35-13-9-11-31(27-35)33-23-25-47-41(29-33)42-30-34(24-26-48(42)51-47)32-12-10-14-36(28-32)50-45-21-7-3-17-39(45)40-18-4-8-22-46(40)50;1-5-22-36-26(12-1)27-13-2-6-23-37(27)43(36)40-30(34-20-10-18-32-28-14-3-7-24-38(28)44-41(32)34)16-9-17-31(40)35-21-11-19-33-29-15-4-8-25-39(29)45-42(33)35;1-4-22-36-25(11-1)30-16-8-19-33(40(30)43-36)28-14-7-15-29(34-20-9-17-31-26-12-2-5-23-37(26)44-41(31)34)39(28)35-21-10-18-32-27-13-3-6-24-38(27)45-42(32)35/h1-29H;1-30H;1-25H;1-24H.
What are the key properties of 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene?
9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene has a molecular weight of 2579.35 g/mol, XLogP of 53.57, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene is sourced from PubChem (CID 162040237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).