9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole

C167H106N6 — CID 158139061

IUPAC9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c4ccccc4c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c4ccccc4c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)c1
InChIInChI=1S/C66H42N2.C60H38N2.C41H26N2/c1-2-24-54-53(23-1)55-35-33-49(45-17-11-15-43(37-45)47-19-13-21-51(39-47)67-63-29-7-3-25-57(63)58-26-4-8-30-64(58)67)41-61(55)62-42-50(34-36-56(54)62)46-18-12-16-44(38-46)48-20-14-22-52(40-48)68-65-31-9-5-27-59(65)60-28-6-10-32-66(60)68;1-2-21-48-47(20-1)49-32-30-43(40-15-11-14-39(34-40)41-16-12-18-45(35-41)61-57-26-7-3-22-51(57)52-23-4-8-27-58(52)61)37-55(49)56-38-44(31-33-50(48)56)42-17-13-19-46(36-42)62-59-28-9-5-24-53(59)54-25-6-10-29-60(54)62;1-2-15-32-30(13-1)31-14-3-4-16-33(31)37-26-28(23-24-34(32)37)27-11-9-12-29(25-27)38-19-10-22-41(42-38)43-39-20-7-5-17-35(39)36-18-6-8-21-40(36)43/h1-42H;1-38H;1-26H
InChIKeyFTSGLEZCVVNVSJ-UHFFFAOYSA-N
MW2196.73 g/mol
LogP45.32
Rot. Bonds14

About 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole

9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole (PubChem CID 158139061) has the molecular formula C167H106N6 and a molecular weight of 2196.73 g/mol. Its IUPAC name is 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
PubChem CID158139061
Molecular FormulaC167H106N6
Molecular Weight2196.73 g/mol
Exact Mass2194.85
IUPAC Name9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c4ccccc4c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c4ccccc4c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)c1
InChIInChI=1S/C66H42N2.C60H38N2.C41H26N2/c1-2-24-54-53(23-1)55-35-33-49(45-17-11-15-43(37-45)47-19-13-21-51(39-47)67-63-29-7-3-25-57(63)58-26-4-8-30-64(58)67)41-61(55)62-42-50(34-36-56(54)62)46-18-12-16-44(38-46)48-20-14-22-52(40-48)68-65-31-9-5-27-59(65)60-28-6-10-32-66(60)68;1-2-21-48-47(20-1)49-32-30-43(40-15-11-14-39(34-40)41-16-12-18-45(35-41)61-57-26-7-3-22-51(57)52-23-4-8-27-58(52)61)37-55(49)56-38-44(31-33-50(48)56)42-17-13-19-46(36-42)62-59-28-9-5-24-53(59)54-25-6-10-29-60(54)62;1-2-15-32-30(13-1)31-14-3-4-16-33(31)37-26-28(23-24-34(32)37)27-11-9-12-29(25-27)38-19-10-22-41(42-38)43-39-20-7-5-17-35(39)36-18-6-8-21-40(36)43/h1-42H;1-38H;1-26H
InChIKeyFTSGLEZCVVNVSJ-UHFFFAOYSA-N
XLogP45.32
TPSA37.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms173
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002196.73
LogP ≤ 545.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole (CID 158139061) is 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c4ccccc4c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c4ccccc4c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)c1.
What is the InChIKey of 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole?
The InChIKey is FTSGLEZCVVNVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2.C60H38N2.C41H26N2/c1-2-24-54-53(23-1)55-35-33-49(45-17-11-15-43(37-45)47-19-13-21-51(39-47)67-63-29-7-3-25-57(63)58-26-4-8-30-64(58)67)41-61(55)62-42-50(34-36-56(54)62)46-18-12-16-44(38-46)48-20-14-22-52(40-48)68-65-31-9-5-27-59(65)60-28-6-10-32-66(60)68;1-2-21-48-47(20-1)49-32-30-43(40-15-11-14-39(34-40)41-16-12-18-45(35-41)61-57-26-7-3-22-51(57)52-23-4-8-27-58(52)61)37-55(49)56-38-44(31-33-50(48)56)42-17-13-19-46(36-42)62-59-28-9-5-24-53(59)54-25-6-10-29-60(54)62;1-2-15-32-30(13-1)31-14-3-4-16-33(31)37-26-28(23-24-34(32)37)27-11-9-12-29(25-27)38-19-10-22-41(42-38)43-39-20-7-5-17-35(39)36-18-6-8-21-40(36)43/h1-42H;1-38H;1-26H.
What are the key properties of 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole?
9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole has a molecular weight of 2196.73 g/mol, XLogP of 45.32, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 158139061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).