2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine

C47H31N5 — CID 146187775

IUPAC2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)ccc2-c2ccccc2-c2ccccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C47H31N5/c1-2-11-33(12-3-1)44-31-38(47-51-45(34-22-26-48-27-23-34)50-46(52-47)35-24-28-49-29-25-35)20-21-43(44)42-17-9-8-16-41(42)40-15-7-6-14-39(40)37-19-18-32-10-4-5-13-36(32)30-37/h1-31H
InChIKeyVNLHJAMRHZVDFL-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.48
Rot. Bonds7

About 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine

2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine (PubChem CID 146187775) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
PubChem CID146187775
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC Name2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)ccc2-c2ccccc2-c2ccccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C47H31N5/c1-2-11-33(12-3-1)44-31-38(47-51-45(34-22-26-48-27-23-34)50-46(52-47)35-24-28-49-29-25-35)20-21-43(44)42-17-9-8-16-41(42)40-15-7-6-14-39(40)37-19-18-32-10-4-5-13-36(32)30-37/h1-31H
InChIKeyVNLHJAMRHZVDFL-UHFFFAOYSA-N
XLogP11.48
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine with MolForge

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Related Compounds

2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267901
2-[4-(2,5-diphenylphenyl)-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187499
2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164745860
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169297295
2-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187334
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 169297430
2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146187821
2-naphthalen-2-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297212
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297350
2-naphthalen-2-yl-4-phenyl-6-[2-phenyl-4-(2-phenyl-4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 175394211
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine?
The IUPAC name of 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine (CID 146187775) is 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)ccc2-c2ccccc2-c2ccccc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine?
The InChIKey is VNLHJAMRHZVDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-2-11-33(12-3-1)44-31-38(47-51-45(34-22-26-48-27-23-34)50-46(52-47)35-24-28-49-29-25-35)20-21-43(44)42-17-9-8-16-41(42)40-15-7-6-14-39(40)37-19-18-32-10-4-5-13-36(32)30-37/h1-31H.
What are the key properties of 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine?
2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine has a molecular weight of 665.80 g/mol, XLogP of 11.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine is sourced from PubChem (CID 146187775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).