9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole

C59H36N2S — CID 139500820

IUPAC9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C59H36N2S/c1-2-14-37(15-3-1)41-35-54(39-27-29-59-53(34-39)51-22-10-13-25-58(51)62-59)60-55(36-41)42-30-40(31-43(32-42)61-56-23-11-8-20-49(56)50-21-9-12-24-57(50)61)38-26-28-48-46-18-5-4-16-44(46)45-17-6-7-19-47(45)52(48)33-38/h1-36H
InChIKeyBGQTZROLGRJYRS-UHFFFAOYSA-N
MW805.02 g/mol
LogP16.67
Rot. Bonds5

About 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole

9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole (PubChem CID 139500820) has the molecular formula C59H36N2S and a molecular weight of 805.02 g/mol. Its IUPAC name is 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
PubChem CID139500820
Molecular FormulaC59H36N2S
Molecular Weight805.02 g/mol
Exact Mass804.26
IUPAC Name9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C59H36N2S/c1-2-14-37(15-3-1)41-35-54(39-27-29-59-53(34-39)51-22-10-13-25-58(51)62-59)60-55(36-41)42-30-40(31-43(32-42)61-56-23-11-8-20-49(56)50-21-9-12-24-57(50)61)38-26-28-48-46-18-5-4-16-44(46)45-17-6-7-19-47(45)52(48)33-38/h1-36H
InChIKeyBGQTZROLGRJYRS-UHFFFAOYSA-N
XLogP16.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.02
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

23-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-11-dibenzothiophen-2-yl-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
CID 121340509
2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 134236738
3-[3-carbazol-9-yl-5-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole
CID 154950110
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
10-dibenzothiophen-3-yl-23-(3,5-diphenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324813
9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
CID 139500953
9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole
CID 147547401
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 118014177
9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 139555195
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502936

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole?
The IUPAC name of 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole (CID 139500820) is 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole?
The canonical SMILES for 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole is c1ccc(-c2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4sc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole?
The InChIKey is BGQTZROLGRJYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2S/c1-2-14-37(15-3-1)41-35-54(39-27-29-59-53(34-39)51-22-10-13-25-58(51)62-59)60-55(36-41)42-30-40(31-43(32-42)61-56-23-11-8-20-49(56)50-21-9-12-24-57(50)61)38-26-28-48-46-18-5-4-16-44(46)45-17-6-7-19-47(45)52(48)33-38/h1-36H.
What are the key properties of 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole?
9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole has a molecular weight of 805.02 g/mol, XLogP of 16.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole is sourced from PubChem (CID 139500820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).