4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline

C43H32N4 — CID 154940521

IUPAC4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(-c4cccc(C5=NC(c6ccccc6)=NC(c6ccccc6)N5)c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C43H32N4/c44-36-24-22-31(23-25-36)38-27-26-37(39-16-7-8-17-40(38)39)30-20-18-29(19-21-30)34-14-9-15-35(28-34)43-46-41(32-10-3-1-4-11-32)45-42(47-43)33-12-5-2-6-13-33/h1-28,41H,44H2,(H,45,46,47)
InChIKeyQTPIVUGXFBBPMS-UHFFFAOYSA-N
MW604.76 g/mol
LogP9.92
Rot. Bonds6

About 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline

4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline (PubChem CID 154940521) has the molecular formula C43H32N4 and a molecular weight of 604.76 g/mol. Its IUPAC name is 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline.

Molecular Properties

Compound Name4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
PubChem CID154940521
Molecular FormulaC43H32N4
Molecular Weight604.76 g/mol
Exact Mass604.26
IUPAC Name4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(-c4cccc(C5=NC(c6ccccc6)=NC(c6ccccc6)N5)c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C43H32N4/c44-36-24-22-31(23-25-36)38-27-26-37(39-16-7-8-17-40(38)39)30-20-18-29(19-21-30)34-14-9-15-35(28-34)43-46-41(32-10-3-1-4-11-32)45-42(47-43)33-12-5-2-6-13-33/h1-28,41H,44H2,(H,45,46,47)
InChIKeyQTPIVUGXFBBPMS-UHFFFAOYSA-N
XLogP9.92
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.76
LogP ≤ 59.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
2-[3-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]phenyl]-4,9-diphenyl-1,10-phenanthroline
CID 163755710
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-triphenylen-2-ylbenzonitrile
CID 165010205
7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole
CID 146647440
2-[4-[6-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339084
4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574841
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
4-dibenzothiophen-3-yl-2-phenyl-6-(3-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167233632
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 174245608
6-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-4-triphenylen-2-yl-1,2-dihydro-1,3,5-triazine
CID 174243644
4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 148755581

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline?
The IUPAC name of 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline (CID 154940521) is 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline.
What is the SMILES notation for 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline?
The canonical SMILES for 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline is Nc1ccc(-c2ccc(-c3ccc(-c4cccc(C5=NC(c6ccccc6)=NC(c6ccccc6)N5)c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline?
The InChIKey is QTPIVUGXFBBPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4/c44-36-24-22-31(23-25-36)38-27-26-37(39-16-7-8-17-40(38)39)30-20-18-29(19-21-30)34-14-9-15-35(28-34)43-46-41(32-10-3-1-4-11-32)45-42(47-43)33-12-5-2-6-13-33/h1-28,41H,44H2,(H,45,46,47).
What are the key properties of 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline?
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline has a molecular weight of 604.76 g/mol, XLogP of 9.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline is sourced from PubChem (CID 154940521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).