2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine

C159H99N21 — CID 158248176

IUPAC2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccc(-c6ccc(-c7ccc(-c8ccccn8)cn7)nc6)cc4c4ccc(-c6ccc(-c7ccc(-c8ccccn8)cn7)nc6)cc54)cn3)nc2)nc1.c1ccc(-c2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccc(-c7ccc(-c8ccc(-c9ccccn9)nc8)nc7)cc6c5c4)cn3)cn2)nc1.c1cncc(-c2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccc(-c7ccc(-c8ccc(-c9cccnc9)nc8)nc7)cc6c5c4)cn3)cn2)c1
InChIInChI=1S/C63H39N9.2C48H30N6/c1-4-28-64-55(7-1)46-16-25-61(70-37-46)58-22-13-43(34-67-58)40-10-19-49-52(31-40)50-20-11-41(44-14-23-59(68-35-44)62-26-17-47(38-71-62)56-8-2-5-29-65-56)33-54(50)51-21-12-42(32-53(49)51)45-15-24-60(69-36-45)63-27-18-48(39-72-63)57-9-3-6-30-66-57;1-2-8-40-39(7-1)41-15-9-31(33-11-17-47(51-27-33)37-13-19-45(53-29-37)35-5-3-21-49-25-35)23-43(41)44-24-32(10-16-42(40)44)34-12-18-48(52-28-34)38-14-20-46(54-30-38)36-6-4-22-50-26-36;1-2-8-38-37(7-1)39-17-11-31(33-13-19-43(51-27-33)35-15-21-47(53-29-35)45-9-3-5-23-49-45)25-41(39)42-26-32(12-18-40(38)42)34-14-20-44(52-28-34)36-16-22-48(54-30-36)46-10-4-6-24-50-46/h1-39H;2*1-30H
InChIKeyGGJQRDLNRWCUSQ-UHFFFAOYSA-N
MW2303.69 g/mol
LogP37.74
Rot. Bonds21

About 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine

2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine (PubChem CID 158248176) has the molecular formula C159H99N21 and a molecular weight of 2303.69 g/mol. Its IUPAC name is 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
PubChem CID158248176
Molecular FormulaC159H99N21
Molecular Weight2303.69 g/mol
Exact Mass2301.84
IUPAC Name2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccc(-c6ccc(-c7ccc(-c8ccccn8)cn7)nc6)cc4c4ccc(-c6ccc(-c7ccc(-c8ccccn8)cn7)nc6)cc54)cn3)nc2)nc1.c1ccc(-c2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccc(-c7ccc(-c8ccc(-c9ccccn9)nc8)nc7)cc6c5c4)cn3)cn2)nc1.c1cncc(-c2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccc(-c7ccc(-c8ccc(-c9cccnc9)nc8)nc7)cc6c5c4)cn3)cn2)c1
InChIInChI=1S/C63H39N9.2C48H30N6/c1-4-28-64-55(7-1)46-16-25-61(70-37-46)58-22-13-43(34-67-58)40-10-19-49-52(31-40)50-20-11-41(44-14-23-59(68-35-44)62-26-17-47(38-71-62)56-8-2-5-29-65-56)33-54(50)51-21-12-42(32-53(49)51)45-15-24-60(69-36-45)63-27-18-48(39-72-63)57-9-3-6-30-66-57;1-2-8-40-39(7-1)41-15-9-31(33-11-17-47(51-27-33)37-13-19-45(53-29-37)35-5-3-21-49-25-35)23-43(41)44-24-32(10-16-42(40)44)34-12-18-48(52-28-34)38-14-20-46(54-30-38)36-6-4-22-50-26-36;1-2-8-38-37(7-1)39-17-11-31(33-13-19-43(51-27-33)35-15-21-47(53-29-35)45-9-3-5-23-49-45)25-41(39)42-26-32(12-18-40(38)42)34-14-20-44(52-28-34)36-16-22-48(54-30-36)46-10-4-6-24-50-46/h1-39H;2*1-30H
InChIKeyGGJQRDLNRWCUSQ-UHFFFAOYSA-N
XLogP37.74
TPSA270.69 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002303.69
LogP ≤ 537.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine?
The IUPAC name of 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine (CID 158248176) is 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine is c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccc(-c6ccc(-c7ccc(-c8ccccn8)cn7)nc6)cc4c4ccc(-c6ccc(-c7ccc(-c8ccccn8)cn7)nc6)cc54)cn3)nc2)nc1.c1ccc(-c2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccc(-c7ccc(-c8ccc(-c9ccccn9)nc8)nc7)cc6c5c4)cn3)cn2)nc1.c1cncc(-c2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccc(-c7ccc(-c8ccc(-c9cccnc9)nc8)nc7)cc6c5c4)cn3)cn2)c1.
What is the InChIKey of 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine?
The InChIKey is GGJQRDLNRWCUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N9.2C48H30N6/c1-4-28-64-55(7-1)46-16-25-61(70-37-46)58-22-13-43(34-67-58)40-10-19-49-52(31-40)50-20-11-41(44-14-23-59(68-35-44)62-26-17-47(38-71-62)56-8-2-5-29-65-56)33-54(50)51-21-12-42(32-53(49)51)45-15-24-60(69-36-45)63-27-18-48(39-72-63)57-9-3-6-30-66-57;1-2-8-40-39(7-1)41-15-9-31(33-11-17-47(51-27-33)37-13-19-45(53-29-37)35-5-3-21-49-25-35)23-43(41)44-24-32(10-16-42(40)44)34-12-18-48(52-28-34)38-14-20-46(54-30-38)36-6-4-22-50-26-36;1-2-8-38-37(7-1)39-17-11-31(33-13-19-43(51-27-33)35-15-21-47(53-29-35)45-9-3-5-23-49-45)25-41(39)42-26-32(12-18-40(38)42)34-14-20-44(52-28-34)36-16-22-48(54-30-36)46-10-4-6-24-50-46/h1-39H;2*1-30H.
What are the key properties of 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine?
2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine has a molecular weight of 2303.69 g/mol, XLogP of 37.74, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine is sourced from PubChem (CID 158248176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).