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

C42H28N4 — CID 146587202

IUPAC2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6cccnc6)c5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C42H28N4/c1-2-8-29(9-3-1)31-15-20-33(21-16-31)40-44-41(46-42(45-40)38-24-19-30-10-4-5-11-35(30)27-38)34-22-17-32(18-23-34)36-12-6-13-37(26-36)39-14-7-25-43-28-39/h1-28H
InChIKeyAKXMZLMCQGMKFK-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.42
Rot. Bonds6

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

2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 146587202) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID146587202
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6cccnc6)c5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C42H28N4/c1-2-8-29(9-3-1)31-15-20-33(21-16-31)40-44-41(46-42(45-40)38-24-19-30-10-4-5-11-35(30)27-38)34-22-17-32(18-23-34)36-12-6-13-37(26-36)39-14-7-25-43-28-39/h1-28H
InChIKeyAKXMZLMCQGMKFK-UHFFFAOYSA-N
XLogP10.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dinaphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 122416192
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2-naphthalen-2-yl-4-phenyl-6-[2-phenyl-4-(2-phenyl-4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 175394211

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine (CID 146587202) is 2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6cccnc6)c5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is AKXMZLMCQGMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-2-8-29(9-3-1)31-15-20-33(21-16-31)40-44-41(46-42(45-40)38-24-19-30-10-4-5-11-35(30)27-38)34-22-17-32(18-23-34)36-12-6-13-37(26-36)39-14-7-25-43-28-39/h1-28H.
What are the key properties of 2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine?
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 588.71 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146587202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).