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

C53H35N5 — CID 170277591

IUPAC2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C53H35N5/c1-5-16-40(17-6-1)47-35-48(41-18-7-2-8-19-41)55-50(54-47)44-31-27-37(28-32-44)36-25-29-39(30-26-36)46-34-33-38-15-13-14-24-45(38)49(46)53-57-51(42-20-9-3-10-21-42)56-52(58-53)43-22-11-4-12-23-43/h1-35H
InChIKeyFEIYOVXSBIBCMY-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.15
Rot. Bonds8

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

2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 170277591) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID170277591
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C53H35N5/c1-5-16-40(17-6-1)47-35-48(41-18-7-2-8-19-41)55-50(54-47)44-31-27-37(28-32-44)36-25-29-39(30-26-36)46-34-33-38-15-13-14-24-45(38)49(46)53-57-51(42-20-9-3-10-21-42)56-52(58-53)43-22-11-4-12-23-43/h1-35H
InChIKeyFEIYOVXSBIBCMY-UHFFFAOYSA-N
XLogP13.15
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194
2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694
2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 171588817
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632391
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
2-[2-[4-(3-isocyanophenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 158503468
4-(4-benzo[a]anthracen-7-ylnaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 167250433

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 170277591) is 2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FEIYOVXSBIBCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-5-16-40(17-6-1)47-35-48(41-18-7-2-8-19-41)55-50(54-47)44-31-27-37(28-32-44)36-25-29-39(30-26-36)46-34-33-38-15-13-14-24-45(38)49(46)53-57-51(42-20-9-3-10-21-42)56-52(58-53)43-22-11-4-12-23-43/h1-35H.
What are the key properties of 2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 741.90 g/mol, XLogP of 13.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 170277591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).