3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

C192H120N12S3 — CID 160972461

IUPAC3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc5n6-c5ccccc5)cc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)cc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)cc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/3C64H40N4S/c1-5-16-41(17-6-1)55-40-56(66-64(65-55)42-18-7-2-8-19-42)50-25-15-27-62-63(50)54-39-46(31-35-61(54)69-62)45-30-34-60-53(38-45)52-37-44(29-33-59(52)68(60)48-22-11-4-12-23-48)43-28-32-58-51(36-43)49-24-13-14-26-57(49)67(58)47-20-9-3-10-21-47;1-5-15-41(16-6-1)56-40-57(66-64(65-56)42-17-7-2-8-18-42)47-25-30-51-55-38-46(29-34-62(55)69-63(51)39-47)45-28-33-61-54(37-45)53-36-44(27-32-60(53)68(61)49-21-11-4-12-22-49)43-26-31-59-52(35-43)50-23-13-14-24-58(50)67(59)48-19-9-3-10-20-48;1-5-15-41(16-6-1)56-40-57(66-64(65-56)42-17-7-2-8-18-42)47-29-34-63-55(39-47)54-38-46(28-33-62(54)69-63)45-27-32-61-53(37-45)52-36-44(26-31-60(52)68(61)49-21-11-4-12-22-49)43-25-30-59-51(35-43)50-23-13-14-24-58(50)67(59)48-19-9-3-10-20-48/h3*1-40H
InChIKeySYLANLRNIMDHGR-UHFFFAOYSA-N
MW2691.36 g/mol
LogP52.12
Rot. Bonds21

About 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 160972461) has the molecular formula C192H120N12S3 and a molecular weight of 2691.36 g/mol. Its IUPAC name is 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID160972461
Molecular FormulaC192H120N12S3
Molecular Weight2691.36 g/mol
Exact Mass2688.89
IUPAC Name3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc5n6-c5ccccc5)cc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)cc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)cc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/3C64H40N4S/c1-5-16-41(17-6-1)55-40-56(66-64(65-55)42-18-7-2-8-19-42)50-25-15-27-62-63(50)54-39-46(31-35-61(54)69-62)45-30-34-60-53(38-45)52-37-44(29-33-59(52)68(60)48-22-11-4-12-23-48)43-28-32-58-51(36-43)49-24-13-14-26-57(49)67(58)47-20-9-3-10-21-47;1-5-15-41(16-6-1)56-40-57(66-64(65-56)42-17-7-2-8-18-42)47-25-30-51-55-38-46(29-34-62(55)69-63(51)39-47)45-28-33-61-54(37-45)53-36-44(27-32-60(53)68(61)49-21-11-4-12-22-49)43-26-31-59-52(35-43)50-23-13-14-24-58(50)67(59)48-19-9-3-10-20-48;1-5-15-41(16-6-1)56-40-57(66-64(65-56)42-17-7-2-8-18-42)47-29-34-63-55(39-47)54-38-46(28-33-62(54)69-63)45-27-32-61-53(37-45)52-36-44(26-31-60(52)68(61)49-21-11-4-12-22-49)43-25-30-59-51(35-43)50-23-13-14-24-58(50)67(59)48-19-9-3-10-20-48/h3*1-40H
InChIKeySYLANLRNIMDHGR-UHFFFAOYSA-N
XLogP52.12
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002691.36
LogP ≤ 552.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

4-[3-(10-dibenzothiophen-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-phenylcarbazole
CID 157091927
2-(6-dibenzothiophen-1-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118154616
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
3-[4-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-9-phenylcarbazole
CID 167237296
3-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 70660998
4-[2-dibenzothiophen-3-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole
CID 118154646
3-[3-carbazol-9-yl-5-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole
CID 154950110
3-[8-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768597
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160639812
3-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;methane
CID 161295747

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 160972461) is 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2cc(-c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc5n6-c5ccccc5)cc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)cc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4sc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)cc5c34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is SYLANLRNIMDHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C64H40N4S/c1-5-16-41(17-6-1)55-40-56(66-64(65-55)42-18-7-2-8-19-42)50-25-15-27-62-63(50)54-39-46(31-35-61(54)69-62)45-30-34-60-53(38-45)52-37-44(29-33-59(52)68(60)48-22-11-4-12-23-48)43-28-32-58-51(36-43)49-24-13-14-26-57(49)67(58)47-20-9-3-10-21-47;1-5-15-41(16-6-1)56-40-57(66-64(65-56)42-17-7-2-8-18-42)47-25-30-51-55-38-46(29-34-62(55)69-63(51)39-47)45-28-33-61-54(37-45)53-36-44(27-32-60(53)68(61)49-21-11-4-12-22-49)43-26-31-59-52(35-43)50-23-13-14-24-58(50)67(59)48-19-9-3-10-20-48;1-5-15-41(16-6-1)56-40-57(66-64(65-56)42-17-7-2-8-18-42)47-29-34-63-55(39-47)54-38-46(28-33-62(54)69-63)45-27-32-61-53(37-45)52-36-44(26-31-60(52)68(61)49-21-11-4-12-22-49)43-25-30-59-51(35-43)50-23-13-14-24-58(50)67(59)48-19-9-3-10-20-48/h3*1-40H.
What are the key properties of 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2691.36 g/mol, XLogP of 52.12, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 160972461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).