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

C169H108N8S3 — CID 158900274

IUPAC9-[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
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)ccc54)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccccc5-c5ccccc5-c5cccc6c5sc5ccccc56)ccc43)n2)cc1
InChIInChI=1S/2C59H38N2S.C51H32N4S/c1-3-13-39(14-4-1)41-25-27-43(28-26-41)48-37-54(44-31-29-42(30-32-44)40-15-5-2-6-16-40)60-58(38-48)61-55-23-9-7-19-50(55)53-36-46(33-34-56(53)61)45-17-11-18-47(35-45)49-21-12-22-52-51-20-8-10-24-57(51)62-59(49)52;1-3-12-39(13-4-1)41-22-24-43(25-23-41)49-37-54(44-28-26-42(27-29-44)40-14-5-2-6-15-40)60-59(38-49)61-55-20-9-7-18-50(55)52-35-47(30-32-56(52)61)45-16-11-17-46(34-45)48-31-33-58-53(36-48)51-19-8-10-21-57(51)62-58;1-3-16-33(17-4-1)49-52-50(34-18-5-2-6-19-34)54-51(53-49)55-45-28-13-11-24-40(45)44-32-35(30-31-46(44)55)36-20-7-8-21-37(36)38-22-9-10-23-39(38)42-26-15-27-43-41-25-12-14-29-47(41)56-48(42)43/h2*1-38H;1-32H
InChIKeyJFISDDYRQDISSX-UHFFFAOYSA-N
MW2346.98 g/mol
LogP46.77
Rot. Bonds20

About 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

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 (PubChem CID 158900274) has the molecular formula C169H108N8S3 and a molecular weight of 2346.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID158900274
Molecular FormulaC169H108N8S3
Molecular Weight2346.98 g/mol
Exact Mass2344.79
IUPAC Name9-[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
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)ccc54)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccccc5-c5ccccc5-c5cccc6c5sc5ccccc56)ccc43)n2)cc1
InChIInChI=1S/2C59H38N2S.C51H32N4S/c1-3-13-39(14-4-1)41-25-27-43(28-26-41)48-37-54(44-31-29-42(30-32-44)40-15-5-2-6-16-40)60-58(38-48)61-55-23-9-7-19-50(55)53-36-46(33-34-56(53)61)45-17-11-18-47(35-45)49-21-12-22-52-51-20-8-10-24-57(51)62-59(49)52;1-3-12-39(13-4-1)41-22-24-43(25-23-41)49-37-54(44-28-26-42(27-29-44)40-14-5-2-6-15-40)60-59(38-49)61-55-20-9-7-18-50(55)52-35-47(30-32-56(52)61)45-16-11-17-46(34-45)48-31-33-58-53(36-48)51-19-8-10-21-57(51)62-58;1-3-16-33(17-4-1)49-52-50(34-18-5-2-6-19-34)54-51(53-49)55-45-28-13-11-24-40(45)44-32-35(30-31-46(44)55)36-20-7-8-21-37(36)38-22-9-10-23-39(38)42-26-15-27-43-41-25-12-14-29-47(41)56-48(42)43/h2*1-38H;1-32H
InChIKeyJFISDDYRQDISSX-UHFFFAOYSA-N
XLogP46.77
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002346.98
LogP ≤ 546.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)ccc54)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccccc5-c5ccccc5-c5cccc6c5sc5ccccc56)ccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is JFISDDYRQDISSX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H38N2S.C51H32N4S/c1-3-13-39(14-4-1)41-25-27-43(28-26-41)48-37-54(44-31-29-42(30-32-44)40-15-5-2-6-16-40)60-58(38-48)61-55-23-9-7-19-50(55)53-36-46(33-34-56(53)61)45-17-11-18-47(35-45)49-21-12-22-52-51-20-8-10-24-57(51)62-59(49)52;1-3-12-39(13-4-1)41-22-24-43(25-23-41)49-37-54(44-28-26-42(27-29-44)40-14-5-2-6-15-40)60-59(38-49)61-55-20-9-7-18-50(55)52-35-47(30-32-56(52)61)45-16-11-17-46(34-45)48-31-33-58-53(36-48)51-19-8-10-21-57(51)62-58;1-3-16-33(17-4-1)49-52-50(34-18-5-2-6-19-34)54-51(53-49)55-45-28-13-11-24-40(45)44-32-35(30-31-46(44)55)36-20-7-8-21-37(36)38-22-9-10-23-39(38)42-26-15-27-43-41-25-12-14-29-47(41)56-48(42)43/h2*1-38H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 2346.98 g/mol, XLogP of 46.77, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158900274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).