2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine

C108H72N6 — CID 134313368

IUPAC2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cnc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)c7)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1
InChIInChI=1S/C108H72N6/c1-5-25-75(26-6-1)103-57-53-81(67-109-103)93-35-15-21-41-99(93)87-61-85(62-88(65-87)100-42-22-16-36-94(100)82-54-58-104(110-68-82)76-27-7-2-8-28-76)97-39-19-13-33-91(97)73-45-49-79(50-46-73)107-71-114-108(72-113-107)80-51-47-74(48-52-80)92-34-14-20-40-98(92)86-63-89(101-43-23-17-37-95(101)83-55-59-105(111-69-83)77-29-9-3-10-30-77)66-90(64-86)102-44-24-18-38-96(102)84-56-60-106(112-70-84)78-31-11-4-12-32-78/h1-72H
InChIKeyPAQNOTZWTQMABL-UHFFFAOYSA-N
MW1453.81 g/mol
LogP28.06
Rot. Bonds18

About 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine

2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine (PubChem CID 134313368) has the molecular formula C108H72N6 and a molecular weight of 1453.81 g/mol. Its IUPAC name is 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine.

Molecular Properties

Compound Name2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
PubChem CID134313368
Molecular FormulaC108H72N6
Molecular Weight1453.81 g/mol
Exact Mass1452.58
IUPAC Name2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cnc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)c7)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1
InChIInChI=1S/C108H72N6/c1-5-25-75(26-6-1)103-57-53-81(67-109-103)93-35-15-21-41-99(93)87-61-85(62-88(65-87)100-42-22-16-36-94(100)82-54-58-104(110-68-82)76-27-7-2-8-28-76)97-39-19-13-33-91(97)73-45-49-79(50-46-73)107-71-114-108(72-113-107)80-51-47-74(48-52-80)92-34-14-20-40-98(92)86-63-89(101-43-23-17-37-95(101)83-55-59-105(111-69-83)77-29-9-3-10-30-77)66-90(64-86)102-44-24-18-38-96(102)84-56-60-106(112-70-84)78-31-11-4-12-32-78/h1-72H
InChIKeyPAQNOTZWTQMABL-UHFFFAOYSA-N
XLogP28.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.81
LogP ≤ 528.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine?
The IUPAC name of 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine (CID 134313368) is 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine.
What is the SMILES notation for 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine?
The canonical SMILES for 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine is c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cnc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)cc(-c8ccccc8-c8ccc(-c9ccccc9)nc8)c7)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1.
What is the InChIKey of 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine?
The InChIKey is PAQNOTZWTQMABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H72N6/c1-5-25-75(26-6-1)103-57-53-81(67-109-103)93-35-15-21-41-99(93)87-61-85(62-88(65-87)100-42-22-16-36-94(100)82-54-58-104(110-68-82)76-27-7-2-8-28-76)97-39-19-13-33-91(97)73-45-49-79(50-46-73)107-71-114-108(72-113-107)80-51-47-74(48-52-80)92-34-14-20-40-98(92)86-63-89(101-43-23-17-37-95(101)83-55-59-105(111-69-83)77-29-9-3-10-30-77)66-90(64-86)102-44-24-18-38-96(102)84-56-60-106(112-70-84)78-31-11-4-12-32-78/h1-72H.
What are the key properties of 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine?
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine has a molecular weight of 1453.81 g/mol, XLogP of 28.06, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine is sourced from PubChem (CID 134313368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).