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

C39H29N3 — CID 138738236

IUPAC2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine
SMILESC1=Cc2ccccc2C(c2ccc(-c3nc(C4=CCCc5ccccc54)nc(-c4cccc5ccccc45)n3)cc2)C1
InChIInChI=1S/C39H29N3/c1-4-16-31-26(10-1)13-7-19-32(31)29-22-24-30(25-23-29)37-40-38(35-20-8-14-27-11-2-5-17-33(27)35)42-39(41-37)36-21-9-15-28-12-3-6-18-34(28)36/h1-8,10-14,16-18,20-25,32H,9,15,19H2
InChIKeyYQYVJAOIDCWMRC-UHFFFAOYSA-N
MW539.68 g/mol
LogP9.29
Rot. Bonds4

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

2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine (PubChem CID 138738236) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine
PubChem CID138738236
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine
SMILESC1=Cc2ccccc2C(c2ccc(-c3nc(C4=CCCc5ccccc54)nc(-c4cccc5ccccc45)n3)cc2)C1
InChIInChI=1S/C39H29N3/c1-4-16-31-26(10-1)13-7-19-32(31)29-22-24-30(25-23-29)37-40-38(35-20-8-14-27-11-2-5-17-33(27)35)42-39(41-37)36-21-9-15-28-12-3-6-18-34(28)36/h1-8,10-14,16-18,20-25,32H,9,15,19H2
InChIKeyYQYVJAOIDCWMRC-UHFFFAOYSA-N
XLogP9.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170222893
2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167188064
2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170229357
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline
CID 166831781
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167007600
2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 122426450
2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine
CID 170145611
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162157142
12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
CID 145156407
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine (CID 138738236) is 2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine is C1=Cc2ccccc2C(c2ccc(-c3nc(C4=CCCc5ccccc54)nc(-c4cccc5ccccc45)n3)cc2)C1.
What is the InChIKey of 2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine?
The InChIKey is YQYVJAOIDCWMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-4-16-31-26(10-1)13-7-19-32(31)29-22-24-30(25-23-29)37-40-38(35-20-8-14-27-11-2-5-17-33(27)35)42-39(41-37)36-21-9-15-28-12-3-6-18-34(28)36/h1-8,10-14,16-18,20-25,32H,9,15,19H2.
What are the key properties of 2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine?
2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine has a molecular weight of 539.68 g/mol, XLogP of 9.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydronaphthalen-1-yl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 138738236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).