2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

C47H35N3 — CID 145377633

IUPAC2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3-c3ccccc3)NC(c3ccc(-c4cccc5ccccc45)cc3-c3cccc4ccccc34)N2)cc1
InChIInChI=1S/C47H35N3/c1-3-15-32(16-4-1)39-25-11-12-26-42(39)46-48-45(35-19-5-2-6-20-35)49-47(50-46)43-30-29-36(40-27-13-21-33-17-7-9-23-37(33)40)31-44(43)41-28-14-22-34-18-8-10-24-38(34)41/h1-31,46-47,50H,(H,48,49)
InChIKeyKXPBSKHAHCRQBI-UHFFFAOYSA-N
MW641.82 g/mol
LogP11.33
Rot. Bonds6

About 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 145377633) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID145377633
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC Name2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3-c3ccccc3)NC(c3ccc(-c4cccc5ccccc45)cc3-c3cccc4ccccc34)N2)cc1
InChIInChI=1S/C47H35N3/c1-3-15-32(16-4-1)39-25-11-12-26-42(39)46-48-45(35-19-5-2-6-20-35)49-47(50-46)43-30-29-36(40-27-13-21-33-17-7-9-23-37(33)40)31-44(43)41-28-14-22-34-18-8-10-24-38(34)41/h1-31,46-47,50H,(H,48,49)
InChIKeyKXPBSKHAHCRQBI-UHFFFAOYSA-N
XLogP11.33
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 511.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099120
2-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-3-(4-fluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267887
2,6-bis(benzo[a]anthracen-7-yl)-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167252911
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
5-[4-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-5-(4-naphthalen-1-ylphenyl)phenyl]phenyl]benzo[c][2,7]naphthyridine
CID 129200720
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
2-cyclohexa-1,5-dien-1-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 174246609
6-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
CID 118952140
1-[3-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166800136

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 145377633) is 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3-c3ccccc3)NC(c3ccc(-c4cccc5ccccc45)cc3-c3cccc4ccccc34)N2)cc1.
What is the InChIKey of 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is KXPBSKHAHCRQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3/c1-3-15-32(16-4-1)39-25-11-12-26-42(39)46-48-45(35-19-5-2-6-20-35)49-47(50-46)43-30-29-36(40-27-13-21-33-17-7-9-23-37(33)40)31-44(43)41-28-14-22-34-18-8-10-24-38(34)41/h1-31,46-47,50H,(H,48,49).
What are the key properties of 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 641.82 g/mol, XLogP of 11.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 145377633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).