9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole

C204H122N20S2 — CID 158255989

IUPAC9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)nc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)c3)c12.c1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)nc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)n3)c12.c1ccc2c(c1)sc1c(-n3c4ccccc4c4cccc(-c5ncnc(-c6cccc7c8ccccc8n(-c8cccc9c8sc8ccccc89)c67)n5)c43)cccc12
InChIInChI=1S/C77H47N7.C76H46N8.C51H29N5S2/c1-11-35-62-49(22-1)50-23-2-12-36-63(50)80(62)70-43-19-31-58-55-28-7-10-34-61(55)79(75(58)70)48-46-73(83-68-41-17-8-29-56(68)59-32-20-44-71(76(59)83)81-64-37-13-3-24-51(64)52-25-4-14-38-65(52)81)78-74(47-48)84-69-42-18-9-30-57(69)60-33-21-45-72(77(60)84)82-66-39-15-5-26-53(66)54-27-6-16-40-67(54)82;1-10-34-59-47(22-1)48-23-2-11-35-60(48)79(59)68-43-19-31-56-53-28-7-16-40-65(53)82(73(56)68)71-46-72(83-66-41-17-8-29-54(66)57-32-20-44-69(74(57)83)80-61-36-12-3-24-49(61)50-25-4-13-37-62(50)80)78-76(77-71)84-67-42-18-9-30-55(67)58-33-21-45-70(75(58)84)81-63-38-14-5-26-51(63)52-27-6-15-39-64(52)81;1-5-23-40-30(13-1)34-17-9-21-38(46(34)55(40)42-25-11-19-36-32-15-3-7-27-44(32)57-48(36)42)50-52-29-53-51(54-50)39-22-10-18-35-31-14-2-6-24-41(31)56(47(35)39)43-26-12-20-37-33-16-4-8-28-45(33)58-49(37)43/h1-47H;1-46H;1-29H
InChIKeyGHHFQCVGNIPRDQ-UHFFFAOYSA-N
MW2917.49 g/mol
LogP52.86
Rot. Bonds16

About 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole

9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 158255989) has the molecular formula C204H122N20S2 and a molecular weight of 2917.49 g/mol. Its IUPAC name is 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID158255989
Molecular FormulaC204H122N20S2
Molecular Weight2917.49 g/mol
Exact Mass2914.96
IUPAC Name9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)nc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)c3)c12.c1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)nc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)n3)c12.c1ccc2c(c1)sc1c(-n3c4ccccc4c4cccc(-c5ncnc(-c6cccc7c8ccccc8n(-c8cccc9c8sc8ccccc89)c67)n5)c43)cccc12
InChIInChI=1S/C77H47N7.C76H46N8.C51H29N5S2/c1-11-35-62-49(22-1)50-23-2-12-36-63(50)80(62)70-43-19-31-58-55-28-7-10-34-61(55)79(75(58)70)48-46-73(83-68-41-17-8-29-56(68)59-32-20-44-71(76(59)83)81-64-37-13-3-24-51(64)52-25-4-14-38-65(52)81)78-74(47-48)84-69-42-18-9-30-57(69)60-33-21-45-72(77(60)84)82-66-39-15-5-26-53(66)54-27-6-16-40-67(54)82;1-10-34-59-47(22-1)48-23-2-11-35-60(48)79(59)68-43-19-31-56-53-28-7-16-40-65(53)82(73(56)68)71-46-72(83-66-41-17-8-29-54(66)57-32-20-44-69(74(57)83)80-61-36-12-3-24-49(61)50-25-4-13-37-62(50)80)78-76(77-71)84-67-42-18-9-30-55(67)58-33-21-45-70(75(58)84)81-63-38-14-5-26-51(63)52-27-6-15-39-64(52)81;1-5-23-40-30(13-1)34-17-9-21-38(46(34)55(40)42-25-11-19-36-32-15-3-7-27-44(32)57-48(36)42)50-52-29-53-51(54-50)39-22-10-18-35-31-14-2-6-24-41(31)56(47(35)39)43-26-12-20-37-33-16-4-8-28-45(33)58-49(37)43/h1-47H;1-46H;1-29H
InChIKeyGHHFQCVGNIPRDQ-UHFFFAOYSA-N
XLogP52.86
TPSA146.36 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002917.49
LogP ≤ 552.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165508
9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 163980013
12-dibenzothiophen-4-yl-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385380
12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888288
7-dibenzothiophen-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 166591963
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165560
12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309
22-dibenzothiophen-4-yl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 122465489
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 160623255
12-[3-dibenzothiophen-4-yl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154946479
9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 139303080
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole (CID 158255989) is 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)nc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)c3)c12.c1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)nc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)n3)c12.c1ccc2c(c1)sc1c(-n3c4ccccc4c4cccc(-c5ncnc(-c6cccc7c8ccccc8n(-c8cccc9c8sc8ccccc89)c67)n5)c43)cccc12.
What is the InChIKey of 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is GHHFQCVGNIPRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H47N7.C76H46N8.C51H29N5S2/c1-11-35-62-49(22-1)50-23-2-12-36-63(50)80(62)70-43-19-31-58-55-28-7-10-34-61(55)79(75(58)70)48-46-73(83-68-41-17-8-29-56(68)59-32-20-44-71(76(59)83)81-64-37-13-3-24-51(64)52-25-4-14-38-65(52)81)78-74(47-48)84-69-42-18-9-30-57(69)60-33-21-45-72(77(60)84)82-66-39-15-5-26-53(66)54-27-6-16-40-67(54)82;1-10-34-59-47(22-1)48-23-2-11-35-60(48)79(59)68-43-19-31-56-53-28-7-16-40-65(53)82(73(56)68)71-46-72(83-66-41-17-8-29-54(66)57-32-20-44-69(74(57)83)80-61-36-12-3-24-49(61)50-25-4-13-37-62(50)80)78-76(77-71)84-67-42-18-9-30-55(67)58-33-21-45-70(75(58)84)81-63-38-14-5-26-51(63)52-27-6-15-39-64(52)81;1-5-23-40-30(13-1)34-17-9-21-38(46(34)55(40)42-25-11-19-36-32-15-3-7-27-44(32)57-48(36)42)50-52-29-53-51(54-50)39-22-10-18-35-31-14-2-6-24-41(31)56(47(35)39)43-26-12-20-37-33-16-4-8-28-45(33)58-49(37)43/h1-47H;1-46H;1-29H.
What are the key properties of 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole?
9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 2917.49 g/mol, XLogP of 52.86, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 158255989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).