2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine

C110H72N10O2 — CID 146506298

IUPAC2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5ccc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-c%12ccc(Oc%13ccc(-c%14ccc(-c%15nc(-c%16ccccc%16)nc(-c%16ccccc%16)n%15)cc%14)cc%13)cc%12)cc%11)n%10)cc9)cc8)n7)cc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C110H72N10O2/c1-7-19-83(20-8-1)99-71-100(84-21-9-2-10-22-84)112-103(111-99)90-45-33-75(34-46-90)79-55-63-95(64-56-79)121-96-65-57-80(58-66-96)76-35-47-91(48-36-76)104-113-101(85-23-11-3-12-24-85)72-102(114-104)86-43-31-73(32-44-86)74-37-49-93(50-38-74)109-118-107(89-29-17-6-18-30-89)119-110(120-109)94-53-41-78(42-54-94)82-61-69-98(70-62-82)122-97-67-59-81(60-68-97)77-39-51-92(52-40-77)108-116-105(87-25-13-4-14-26-87)115-106(117-108)88-27-15-5-16-28-88/h1-72H
InChIKeyYXDRCGIAWUTHAN-UHFFFAOYSA-N
MW1565.85 g/mol
LogP27.56
Rot. Bonds21

About 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine

2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146506298) has the molecular formula C110H72N10O2 and a molecular weight of 1565.85 g/mol. Its IUPAC name is 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID146506298
Molecular FormulaC110H72N10O2
Molecular Weight1565.85 g/mol
Exact Mass1564.58
IUPAC Name2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5ccc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-c%12ccc(Oc%13ccc(-c%14ccc(-c%15nc(-c%16ccccc%16)nc(-c%16ccccc%16)n%15)cc%14)cc%13)cc%12)cc%11)n%10)cc9)cc8)n7)cc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C110H72N10O2/c1-7-19-83(20-8-1)99-71-100(84-21-9-2-10-22-84)112-103(111-99)90-45-33-75(34-46-90)79-55-63-95(64-56-79)121-96-65-57-80(58-66-96)76-35-47-91(48-36-76)104-113-101(85-23-11-3-12-24-85)72-102(114-104)86-43-31-73(32-44-86)74-37-49-93(50-38-74)109-118-107(89-29-17-6-18-30-89)119-110(120-109)94-53-41-78(42-54-94)82-61-69-98(70-62-82)122-97-67-59-81(60-68-97)77-39-51-92(52-40-77)108-116-105(87-25-13-4-14-26-87)115-106(117-108)88-27-15-5-16-28-88/h1-72H
InChIKeyYXDRCGIAWUTHAN-UHFFFAOYSA-N
XLogP27.56
TPSA147.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001565.85
LogP ≤ 527.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 146506298) is 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5ccc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-c%12ccc(Oc%13ccc(-c%14ccc(-c%15nc(-c%16ccccc%16)nc(-c%16ccccc%16)n%15)cc%14)cc%13)cc%12)cc%11)n%10)cc9)cc8)n7)cc6)cc5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is YXDRCGIAWUTHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H72N10O2/c1-7-19-83(20-8-1)99-71-100(84-21-9-2-10-22-84)112-103(111-99)90-45-33-75(34-46-90)79-55-63-95(64-56-79)121-96-65-57-80(58-66-96)76-35-47-91(48-36-76)104-113-101(85-23-11-3-12-24-85)72-102(114-104)86-43-31-73(32-44-86)74-37-49-93(50-38-74)109-118-107(89-29-17-6-18-30-89)119-110(120-109)94-53-41-78(42-54-94)82-61-69-98(70-62-82)122-97-67-59-81(60-68-97)77-39-51-92(52-40-77)108-116-105(87-25-13-4-14-26-87)115-106(117-108)88-27-15-5-16-28-88/h1-72H.
What are the key properties of 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine?
2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1565.85 g/mol, XLogP of 27.56, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[4-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146506298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).