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

C48H35FN6 — CID 174267887

IUPAC2-[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
SMILESFc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2C2NC(c3ccccc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C48H35FN6/c49-38-28-25-32(26-29-38)42-31-37(47-52-43(33-15-5-1-6-16-33)50-44(53-47)34-17-7-2-8-18-34)27-30-40(42)39-23-13-14-24-41(39)48-54-45(35-19-9-3-10-20-35)51-46(55-48)36-21-11-4-12-22-36/h1-31,45,48,54H,(H,51,55)
InChIKeyHIKUAPXNYKDTDT-UHFFFAOYSA-N
MW714.85 g/mol
LogP10.68
Rot. Bonds8

About 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

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 (PubChem CID 174267887) has the molecular formula C48H35FN6 and a molecular weight of 714.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID174267887
Molecular FormulaC48H35FN6
Molecular Weight714.85 g/mol
Exact Mass714.29
IUPAC Name2-[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
SMILESFc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2C2NC(c3ccccc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C48H35FN6/c49-38-28-25-32(26-29-38)42-31-37(47-52-43(33-15-5-1-6-16-33)50-44(53-47)34-17-7-2-8-18-34)27-30-40(42)39-23-13-14-24-41(39)48-54-45(35-19-9-3-10-20-35)51-46(55-48)36-21-11-4-12-22-36/h1-31,45,48,54H,(H,51,55)
InChIKeyHIKUAPXNYKDTDT-UHFFFAOYSA-N
XLogP10.68
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.85
LogP ≤ 510.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-[2-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099445
2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 145377633
7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile
CID 129099191
10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline
CID 166800247
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
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-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978
2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267888
6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2C2NC(c3ccccc3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 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?
The InChIKey is HIKUAPXNYKDTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35FN6/c49-38-28-25-32(26-29-38)42-31-37(47-52-43(33-15-5-1-6-16-33)50-44(53-47)34-17-7-2-8-18-34)27-30-40(42)39-23-13-14-24-41(39)48-54-45(35-19-9-3-10-20-35)51-46(55-48)36-21-11-4-12-22-36/h1-31,45,48,54H,(H,51,55).
What are the key properties of 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?
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 has a molecular weight of 714.85 g/mol, XLogP of 10.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174267887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).