2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine

C42H27N3 — CID 176587687

IUPAC2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=Cc2c(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)n3)ccc3cccc(c23)C1
InChIInChI=1S/C42H27N3/c1-2-9-30(10-3-1)40-43-41(45-42(44-40)38-23-22-29-13-6-12-28-14-7-15-37(38)39(28)29)36-21-20-34-25-33(18-19-35(34)26-36)32-17-16-27-8-4-5-11-31(27)24-32/h1-13,15-26H,14H2
InChIKeyJUPDRJWPFBCVGP-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.57
Rot. Bonds4

About 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine

2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 176587687) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID176587687
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=Cc2c(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)n3)ccc3cccc(c23)C1
InChIInChI=1S/C42H27N3/c1-2-9-30(10-3-1)40-43-41(45-42(44-40)38-23-22-29-13-6-12-28-14-7-15-37(38)39(28)29)36-21-20-34-25-33(18-19-35(34)26-36)32-17-16-27-8-4-5-11-31(27)24-32/h1-13,15-26H,14H2
InChIKeyJUPDRJWPFBCVGP-UHFFFAOYSA-N
XLogP10.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
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]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
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-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297212
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine (CID 176587687) is 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine is C1=Cc2c(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)n3)ccc3cccc(c23)C1.
What is the InChIKey of 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is JUPDRJWPFBCVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-2-9-30(10-3-1)40-43-41(45-42(44-40)38-23-22-29-13-6-12-28-14-7-15-37(38)39(28)29)36-21-20-34-25-33(18-19-35(34)26-36)32-17-16-27-8-4-5-11-31(27)24-32/h1-13,15-26H,14H2.
What are the key properties of 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine?
2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 573.70 g/mol, XLogP of 10.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(7H-phenalen-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176587687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).