2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole

C181H117N9 — CID 160981046

IUPAC2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9cccc%10ccccc9%10)cc8)c7c6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7c6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)c2)cc1
InChIInChI=1S/C65H41N3.C63H41N3.C53H35N3/c1-3-15-43(16-4-1)60-37-47(38-61(66-60)44-17-5-2-6-18-44)42-27-31-48(32-28-42)67-62-25-13-11-23-55(62)57-34-29-45(39-64(57)67)46-30-35-58-56-24-12-14-26-63(56)68(65(58)40-46)49-33-36-54-52-21-8-7-19-50(52)51-20-9-10-22-53(51)59(54)41-49;1-3-15-45(16-4-1)58-38-49(39-59(64-58)46-17-5-2-6-18-46)42-26-32-50(33-27-42)65-60-24-11-9-21-54(60)56-36-30-47(40-62(56)65)48-31-37-57-55-22-10-12-25-61(55)66(63(57)41-48)51-34-28-44(29-35-51)53-23-13-19-43-14-7-8-20-52(43)53;1-4-15-36(16-5-1)41-32-48(37-17-6-2-7-18-37)54-49(33-41)40-19-14-22-43(31-40)56-51-26-13-11-24-45(51)47-30-28-39(35-53(47)56)38-27-29-46-44-23-10-12-25-50(44)55(52(46)34-38)42-20-8-3-9-21-42/h1-41H;1-41H;1-35H
InChIKeySZNDAWUIXFKORI-UHFFFAOYSA-N
MW2417.99 g/mol
LogP48.11
Rot. Bonds19

About 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole

2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 160981046) has the molecular formula C181H117N9 and a molecular weight of 2417.99 g/mol. Its IUPAC name is 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole
PubChem CID160981046
Molecular FormulaC181H117N9
Molecular Weight2417.99 g/mol
Exact Mass2415.94
IUPAC Name2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9cccc%10ccccc9%10)cc8)c7c6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7c6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)c2)cc1
InChIInChI=1S/C65H41N3.C63H41N3.C53H35N3/c1-3-15-43(16-4-1)60-37-47(38-61(66-60)44-17-5-2-6-18-44)42-27-31-48(32-28-42)67-62-25-13-11-23-55(62)57-34-29-45(39-64(57)67)46-30-35-58-56-24-12-14-26-63(56)68(65(58)40-46)49-33-36-54-52-21-8-7-19-50(52)51-20-9-10-22-53(51)59(54)41-49;1-3-15-45(16-4-1)58-38-49(39-59(64-58)46-17-5-2-6-18-46)42-26-32-50(33-27-42)65-60-24-11-9-21-54(60)56-36-30-47(40-62(56)65)48-31-37-57-55-22-10-12-25-61(55)66(63(57)41-48)51-34-28-44(29-35-51)53-23-13-19-43-14-7-8-20-52(43)53;1-4-15-36(16-5-1)41-32-48(37-17-6-2-7-18-37)54-49(33-41)40-19-14-22-43(31-40)56-51-26-13-11-24-45(51)47-30-28-39(35-53(47)56)38-27-29-46-44-23-10-12-25-50(44)55(52(46)34-38)42-20-8-3-9-21-42/h1-41H;1-41H;1-35H
InChIKeySZNDAWUIXFKORI-UHFFFAOYSA-N
XLogP48.11
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms190
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002417.99
LogP ≤ 548.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole?
The IUPAC name of 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole (CID 160981046) is 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9cccc%10ccccc9%10)cc8)c7c6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7c6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)c2)cc1.
What is the InChIKey of 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole?
The InChIKey is SZNDAWUIXFKORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3.C63H41N3.C53H35N3/c1-3-15-43(16-4-1)60-37-47(38-61(66-60)44-17-5-2-6-18-44)42-27-31-48(32-28-42)67-62-25-13-11-23-55(62)57-34-29-45(39-64(57)67)46-30-35-58-56-24-12-14-26-63(56)68(65(58)40-46)49-33-36-54-52-21-8-7-19-50(52)51-20-9-10-22-53(51)59(54)41-49;1-3-15-45(16-4-1)58-38-49(39-59(64-58)46-17-5-2-6-18-46)42-26-32-50(33-27-42)65-60-24-11-9-21-54(60)56-36-30-47(40-62(56)65)48-31-37-57-55-22-10-12-25-61(55)66(63(57)41-48)51-34-28-44(29-35-51)53-23-13-19-43-14-7-8-20-52(43)53;1-4-15-36(16-5-1)41-32-48(37-17-6-2-7-18-37)54-49(33-41)40-19-14-22-43(31-40)56-51-26-13-11-24-45(51)47-30-28-39(35-53(47)56)38-27-29-46-44-23-10-12-25-50(44)55(52(46)34-38)42-20-8-3-9-21-42/h1-41H;1-41H;1-35H.
What are the key properties of 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole?
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole has a molecular weight of 2417.99 g/mol, XLogP of 48.11, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 160981046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).