9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine

C32H24N4O — CID 166801692

IUPAC9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2ccc(C3NC(c4cccc5oc6ccncc6c45)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C32H24N4O/c1-3-8-21(9-4-1)22-14-16-24(17-15-22)31-34-30(23-10-5-2-6-11-23)35-32(36-31)25-12-7-13-28-29(25)26-20-33-19-18-27(26)37-28/h1-20,30-31,34H,(H,35,36)
InChIKeyALZZFUQJTILHEA-UHFFFAOYSA-N
MW480.57 g/mol
LogP6.99
Rot. Bonds4

About 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine

9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 166801692) has the molecular formula C32H24N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID166801692
Molecular FormulaC32H24N4O
Molecular Weight480.57 g/mol
Exact Mass480.20
IUPAC Name9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2ccc(C3NC(c4cccc5oc6ccncc6c45)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C32H24N4O/c1-3-8-21(9-4-1)22-14-16-24(17-15-22)31-34-30(23-10-5-2-6-11-23)35-32(36-31)25-12-7-13-28-29(25)26-20-33-19-18-27(26)37-28/h1-20,30-31,34H,(H,35,36)
InChIKeyALZZFUQJTILHEA-UHFFFAOYSA-N
XLogP6.99
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

9-(4-naphthalen-2-yl-2-phenanthren-3-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801866
8-[4-(6-dibenzofuran-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-1,3,4-triphenyl-4,5-dihydrothieno[3,4-c]quinoline
CID 155033319
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
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
6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163856482
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine
CID 166975821
9-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801462
7-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166802061
9-[6-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 163673549

Frequently Asked Questions

What is the IUPAC name of 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine (CID 166801692) is 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2ccc(C3NC(c4cccc5oc6ccncc6c45)=NC(c4ccccc4)N3)cc2)cc1.
What is the InChIKey of 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is ALZZFUQJTILHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O/c1-3-8-21(9-4-1)22-14-16-24(17-15-22)31-34-30(23-10-5-2-6-11-23)35-32(36-31)25-12-7-13-28-29(25)26-20-33-19-18-27(26)37-28/h1-20,30-31,34H,(H,35,36).
What are the key properties of 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine?
9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 480.57 g/mol, XLogP of 6.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 166801692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).