2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine

C36H26N4 — CID 134444959

IUPAC2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESC1=CC(c2ccccn2)CC=C1c1cccc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C36H26N4/c1-3-10-27(11-4-1)34-38-35(28-12-5-2-6-13-28)40-36(39-34)30-21-22-32-29(24-30)14-9-15-31(32)25-17-19-26(20-18-25)33-16-7-8-23-37-33/h1-19,21-24,26H,20H2
InChIKeyOCXFQVHELDZNOS-UHFFFAOYSA-N
MW514.63 g/mol
LogP8.55
Rot. Bonds5

About 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine

2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 134444959) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID134444959
Molecular FormulaC36H26N4
Molecular Weight514.63 g/mol
Exact Mass514.22
IUPAC Name2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESC1=CC(c2ccccn2)CC=C1c1cccc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C36H26N4/c1-3-10-27(11-4-1)34-38-35(28-12-5-2-6-13-28)40-36(39-34)30-21-22-32-29(24-30)14-9-15-31(32)25-17-19-26(20-18-25)33-16-7-8-23-37-33/h1-19,21-24,26H,20H2
InChIKeyOCXFQVHELDZNOS-UHFFFAOYSA-N
XLogP8.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 177112927
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 122543049
2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 170424272
2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
CID 167113778
2-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159163792
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 167008238
2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076693
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993
3-[4-[4-[(1R)-4-phenanthren-9-ylcyclohexa-2,4-dien-1-yl]-6-(phenanthren-9-ylmethyl)pyrimidin-2-yl]phenyl]quinoline
CID 167020890
2,4-diphenyl-6-[4-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 160754470
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076754

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine (CID 134444959) is 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine is C1=CC(c2ccccn2)CC=C1c1cccc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12.
What is the InChIKey of 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is OCXFQVHELDZNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-3-10-27(11-4-1)34-38-35(28-12-5-2-6-13-28)40-36(39-34)30-21-22-32-29(24-30)14-9-15-31(32)25-17-19-26(20-18-25)33-16-7-8-23-37-33/h1-19,21-24,26H,20H2.
What are the key properties of 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine?
2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 514.63 g/mol, XLogP of 8.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 134444959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).