5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine

C126H76N6O4 — CID 134434272

IUPAC5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ncc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9ccccc9c78)cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9ccccc9c78)c6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)c5oc6ccccc6c45)c3)c3c2oc2ccccc23)nc1
InChIInChI=1S/C126H76N6O4/c1-2-30-87(79-69-81(89-32-5-9-37-94(89)98-57-61-102(110-45-21-25-65-127-110)122-118(98)106-41-13-17-49-114(106)133-122)73-82(70-79)90-33-6-10-38-95(90)99-58-62-103(111-46-22-26-66-128-111)123-119(99)107-42-14-18-50-115(107)134-123)86(29-1)77-53-55-78(56-54-77)126-131-75-85(76-132-126)93-36-4-3-31-88(93)80-71-83(91-34-7-11-39-96(91)100-59-63-104(112-47-23-27-67-129-112)124-120(100)108-43-15-19-51-116(108)135-124)74-84(72-80)92-35-8-12-40-97(92)101-60-64-105(113-48-24-28-68-130-113)125-121(101)109-44-16-20-52-117(109)136-125/h1-76H
InChIKeyWXZNZDJLFOPKRY-UHFFFAOYSA-N
MW1738.03 g/mol
LogP33.99
Rot. Bonds17

About 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine

5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine (PubChem CID 134434272) has the molecular formula C126H76N6O4 and a molecular weight of 1738.03 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine
PubChem CID134434272
Molecular FormulaC126H76N6O4
Molecular Weight1738.03 g/mol
Exact Mass1736.59
IUPAC Name5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ncc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9ccccc9c78)cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9ccccc9c78)c6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)c5oc6ccccc6c45)c3)c3c2oc2ccccc23)nc1
InChIInChI=1S/C126H76N6O4/c1-2-30-87(79-69-81(89-32-5-9-37-94(89)98-57-61-102(110-45-21-25-65-127-110)122-118(98)106-41-13-17-49-114(106)133-122)73-82(70-79)90-33-6-10-38-95(90)99-58-62-103(111-46-22-26-66-128-111)123-119(99)107-42-14-18-50-115(107)134-123)86(29-1)77-53-55-78(56-54-77)126-131-75-85(76-132-126)93-36-4-3-31-88(93)80-71-83(91-34-7-11-39-96(91)100-59-63-104(112-47-23-27-67-129-112)124-120(100)108-43-15-19-51-116(108)135-124)74-84(72-80)92-35-8-12-40-97(92)101-60-64-105(113-48-24-28-68-130-113)125-121(101)109-44-16-20-52-117(109)136-125/h1-76H
InChIKeyWXZNZDJLFOPKRY-UHFFFAOYSA-N
XLogP33.99
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001738.03
LogP ≤ 533.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine (CID 134434272) is 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ncc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9ccccc9c78)cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9ccccc9c78)c6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)c5oc6ccccc6c45)c3)c3c2oc2ccccc23)nc1.
What is the InChIKey of 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
The InChIKey is WXZNZDJLFOPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H76N6O4/c1-2-30-87(79-69-81(89-32-5-9-37-94(89)98-57-61-102(110-45-21-25-65-127-110)122-118(98)106-41-13-17-49-114(106)133-122)73-82(70-79)90-33-6-10-38-95(90)99-58-62-103(111-46-22-26-66-128-111)123-119(99)107-42-14-18-50-115(107)134-123)86(29-1)77-53-55-78(56-54-77)126-131-75-85(76-132-126)93-36-4-3-31-88(93)80-71-83(91-34-7-11-39-96(91)100-59-63-104(112-47-23-27-67-129-112)124-120(100)108-43-15-19-51-116(108)135-124)74-84(72-80)92-35-8-12-40-97(92)101-60-64-105(113-48-24-28-68-130-113)125-121(101)109-44-16-20-52-117(109)136-125/h1-76H.
What are the key properties of 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine has a molecular weight of 1738.03 g/mol, XLogP of 33.99, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-yldibenzofuran-1-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 134434272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).