2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine

C43H31N3 — CID 174322101

IUPAC2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3C3=NC(c4ccccc4)NC(c4cccc5cc(-c6ccccc6)ccc45)=N3)cc2)cc1
InChIInChI=1S/C43H31N3/c1-4-13-30(14-5-1)32-23-25-33(26-24-32)37-20-10-11-21-39(37)42-44-41(34-17-8-3-9-18-34)45-43(46-42)40-22-12-19-36-29-35(27-28-38(36)40)31-15-6-2-7-16-31/h1-29,41H,(H,44,45,46)
InChIKeyDKGSEBCVWVQBOV-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.34
Rot. Bonds6

About 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine

2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine (PubChem CID 174322101) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine
PubChem CID174322101
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3C3=NC(c4ccccc4)NC(c4cccc5cc(-c6ccccc6)ccc45)=N3)cc2)cc1
InChIInChI=1S/C43H31N3/c1-4-13-30(14-5-1)32-23-25-33(26-24-32)37-20-10-11-21-39(37)42-44-41(34-17-8-3-9-18-34)45-43(46-42)40-22-12-19-36-29-35(27-28-38(36)40)31-15-6-2-7-16-31/h1-29,41H,(H,44,45,46)
InChIKeyDKGSEBCVWVQBOV-UHFFFAOYSA-N
XLogP10.34
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenanthren-9-yl-2-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167030279
2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 137285252
9-(4-naphthalen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 163683449
2-(4-naphthalen-1-ylphenyl)-6-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 145340320
6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174310067
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
12-[2-[4-[2-phenyl-4-(6-phenylnaphthalen-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032343
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine (CID 174322101) is 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine is c1ccc(-c2ccc(-c3ccccc3C3=NC(c4ccccc4)NC(c4cccc5cc(-c6ccccc6)ccc45)=N3)cc2)cc1.
What is the InChIKey of 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is DKGSEBCVWVQBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-4-13-30(14-5-1)32-23-25-33(26-24-32)37-20-10-11-21-39(37)42-44-41(34-17-8-3-9-18-34)45-43(46-42)40-22-12-19-36-29-35(27-28-38(36)40)31-15-6-2-7-16-31/h1-29,41H,(H,44,45,46).
What are the key properties of 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine?
2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 589.74 g/mol, XLogP of 10.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 174322101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).