9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole

C209H134N10S3 — CID 160961281

IUPAC9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7-c7ccc8sc9ccccc9c8c7)ccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7-c7cccc8c7sc7ccccc78)ccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7-c7ccc8sc9ccccc9c8c7)ccc65)cc4)n3)cc2)cc1
InChIInChI=1S/2C70H45N3S.C69H44N4S/c1-3-15-46(16-4-1)48-27-31-50(32-28-48)64-45-65(51-33-29-49(30-34-51)47-17-5-2-6-18-47)72-70(71-64)52-35-39-55(40-36-52)73-66-25-13-11-23-60(66)62-43-53(37-41-67(62)73)56-19-7-9-21-58(56)59-22-10-8-20-57(59)54-38-42-69-63(44-54)61-24-12-14-26-68(61)74-69;1-3-16-46(17-4-1)48-30-34-50(35-31-48)64-45-65(51-36-32-49(33-37-51)47-18-5-2-6-19-47)72-70(71-64)52-38-41-54(42-39-52)73-66-28-13-11-24-59(66)63-44-53(40-43-67(63)73)55-20-7-8-21-56(55)57-22-9-10-23-58(57)61-26-15-27-62-60-25-12-14-29-68(60)74-69(61)62;1-3-15-45(16-4-1)47-27-31-49(32-28-47)67-70-68(50-33-29-48(30-34-50)46-17-5-2-6-18-46)72-69(71-67)51-35-39-54(40-36-51)73-63-25-13-11-23-59(63)61-43-52(37-41-64(61)73)55-19-7-9-21-57(55)58-22-10-8-20-56(58)53-38-42-66-62(44-53)60-24-12-14-26-65(60)74-66/h2*1-45H;1-44H
InChIKeySXASRFKYBJSDKA-UHFFFAOYSA-N
MW2881.64 g/mol
LogP57.23
Rot. Bonds27

About 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole

9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole (PubChem CID 160961281) has the molecular formula C209H134N10S3 and a molecular weight of 2881.64 g/mol. Its IUPAC name is 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole
PubChem CID160961281
Molecular FormulaC209H134N10S3
Molecular Weight2881.64 g/mol
Exact Mass2879.00
IUPAC Name9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7-c7ccc8sc9ccccc9c8c7)ccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7-c7cccc8c7sc7ccccc78)ccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7-c7ccc8sc9ccccc9c8c7)ccc65)cc4)n3)cc2)cc1
InChIInChI=1S/2C70H45N3S.C69H44N4S/c1-3-15-46(16-4-1)48-27-31-50(32-28-48)64-45-65(51-33-29-49(30-34-51)47-17-5-2-6-18-47)72-70(71-64)52-35-39-55(40-36-52)73-66-25-13-11-23-60(66)62-43-53(37-41-67(62)73)56-19-7-9-21-58(56)59-22-10-8-20-57(59)54-38-42-69-63(44-54)61-24-12-14-26-68(61)74-69;1-3-16-46(17-4-1)48-30-34-50(35-31-48)64-45-65(51-36-32-49(33-37-51)47-18-5-2-6-19-47)72-70(71-64)52-38-41-54(42-39-52)73-66-28-13-11-24-59(66)63-44-53(40-43-67(63)73)55-20-7-8-21-56(55)57-22-9-10-23-58(57)61-26-15-27-62-60-25-12-14-29-68(60)74-69(61)62;1-3-15-45(16-4-1)47-27-31-49(32-28-47)67-70-68(50-33-29-48(30-34-50)46-17-5-2-6-18-46)72-69(71-67)51-35-39-54(40-36-51)73-63-25-13-11-23-59(63)61-43-52(37-41-64(61)73)55-19-7-9-21-57(55)58-22-10-8-20-56(58)53-38-42-66-62(44-53)60-24-12-14-26-65(60)74-66/h2*1-45H;1-44H
InChIKeySXASRFKYBJSDKA-UHFFFAOYSA-N
XLogP57.23
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002881.64
LogP ≤ 557.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole with MolForge

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Related Compounds

3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 158682512
9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-(3-dibenzothiophen-2-ylphenyl)carbazole;9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-(3-dibenzothiophen-4-ylphenyl)carbazole;3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158900274
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 160959222
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
3-dibenzothiophen-4-yl-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164957895
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole
CID 118020018
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154602092
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole (CID 160961281) is 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7-c7ccc8sc9ccccc9c8c7)ccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7-c7cccc8c7sc7ccccc78)ccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7-c7ccc8sc9ccccc9c8c7)ccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole?
The InChIKey is SXASRFKYBJSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H45N3S.C69H44N4S/c1-3-15-46(16-4-1)48-27-31-50(32-28-48)64-45-65(51-33-29-49(30-34-51)47-17-5-2-6-18-47)72-70(71-64)52-35-39-55(40-36-52)73-66-25-13-11-23-60(66)62-43-53(37-41-67(62)73)56-19-7-9-21-58(56)59-22-10-8-20-57(59)54-38-42-69-63(44-54)61-24-12-14-26-68(61)74-69;1-3-16-46(17-4-1)48-30-34-50(35-31-48)64-45-65(51-36-32-49(33-37-51)47-18-5-2-6-19-47)72-70(71-64)52-38-41-54(42-39-52)73-66-28-13-11-24-59(66)63-44-53(40-43-67(63)73)55-20-7-8-21-56(55)57-22-9-10-23-58(57)61-26-15-27-62-60-25-12-14-29-68(60)74-69(61)62;1-3-15-45(16-4-1)47-27-31-49(32-28-47)67-70-68(50-33-29-48(30-34-50)46-17-5-2-6-18-46)72-69(71-67)51-35-39-54(40-36-51)73-63-25-13-11-23-59(63)61-43-52(37-41-64(61)73)55-19-7-9-21-57(55)58-22-10-8-20-56(58)53-38-42-66-62(44-53)60-24-12-14-26-65(60)74-66/h2*1-45H;1-44H.
What are the key properties of 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole?
9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole has a molecular weight of 2881.64 g/mol, XLogP of 57.23, 27 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 160961281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).