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

C41H29N3 — CID 154940466

IUPAC4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4c(-c5ccc6ccccc6c5)ccc5ccccc45)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C41H29N3/c1-3-13-31(14-4-1)39-42-40(32-15-5-2-6-16-32)44-41(43-39)33-22-20-30(21-23-33)38-36-18-10-9-12-29(36)25-26-37(38)35-24-19-28-11-7-8-17-34(28)27-35/h1-27,39H,(H,42,43,44)
InChIKeyNPGMRUMRONQTGS-UHFFFAOYSA-N
MW563.70 g/mol
LogP9.82
Rot. Bonds5

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

4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 154940466) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID154940466
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4c(-c5ccc6ccccc6c5)ccc5ccccc45)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C41H29N3/c1-3-13-31(14-4-1)39-42-40(32-15-5-2-6-16-32)44-41(43-39)33-22-20-30(21-23-33)38-36-18-10-9-12-29(36)25-26-37(38)35-24-19-28-11-7-8-17-34(28)27-35/h1-27,39H,(H,42,43,44)
InChIKeyNPGMRUMRONQTGS-UHFFFAOYSA-N
XLogP9.82
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039
4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170411210
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 129227953
2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166656568
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 137223943
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
12-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166799978
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole
CID 137214915
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 154940466) is 4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4c(-c5ccc6ccccc6c5)ccc5ccccc45)cc3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is NPGMRUMRONQTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-3-13-31(14-4-1)39-42-40(32-15-5-2-6-16-32)44-41(43-39)33-22-20-30(21-23-33)38-36-18-10-9-12-29(36)25-26-37(38)35-24-19-28-11-7-8-17-34(28)27-35/h1-27,39H,(H,42,43,44).
What are the key properties of 4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 563.70 g/mol, XLogP of 9.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 154940466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).