2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine

C51H35N5 — CID 166656568

IUPAC2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H35N5/c1-4-16-36(17-5-1)45-33-46(53-50(52-45)42-29-24-34-14-10-11-22-41(34)32-42)37-25-27-38(28-26-37)47-43-23-13-12-15-35(43)30-31-44(47)51-55-48(39-18-6-2-7-19-39)54-49(56-51)40-20-8-3-9-21-40/h1-33,51H,(H,54,55,56)
InChIKeyLMFLVJSKQOSXFE-UHFFFAOYSA-N
MW717.88 g/mol
LogP11.95
Rot. Bonds7

About 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine

2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 166656568) has the molecular formula C51H35N5 and a molecular weight of 717.88 g/mol. Its IUPAC name is 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID166656568
Molecular FormulaC51H35N5
Molecular Weight717.88 g/mol
Exact Mass717.29
IUPAC Name2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H35N5/c1-4-16-36(17-5-1)45-33-46(53-50(52-45)42-29-24-34-14-10-11-22-41(34)32-42)37-25-27-38(28-26-37)47-43-23-13-12-15-35(43)30-31-44(47)51-55-48(39-18-6-2-7-19-39)54-49(56-51)40-20-8-3-9-21-40/h1-33,51H,(H,54,55,56)
InChIKeyLMFLVJSKQOSXFE-UHFFFAOYSA-N
XLogP11.95
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.88
LogP ≤ 511.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 166656568) is 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4ccccc4c3-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is LMFLVJSKQOSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5/c1-4-16-36(17-5-1)45-33-46(53-50(52-45)42-29-24-34-14-10-11-22-41(34)32-42)37-25-27-38(28-26-37)47-43-23-13-12-15-35(43)30-31-44(47)51-55-48(39-18-6-2-7-19-39)54-49(56-51)40-20-8-3-9-21-40/h1-33,51H,(H,54,55,56).
What are the key properties of 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 717.88 g/mol, XLogP of 11.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 166656568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).