2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine

C29H21N3O — CID 146246064

IUPAC2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2ccccc2-c2nc(-c3ccccc3)nc(-c3cc4ccccc4o3)n2)=CCC1
InChIInChI=1S/C29H21N3O/c1-3-11-20(12-4-1)23-16-8-9-17-24(23)28-30-27(21-13-5-2-6-14-21)31-29(32-28)26-19-22-15-7-10-18-25(22)33-26/h2-3,5-19H,1,4H2
InChIKeyVZQYRCXGHABYIF-UHFFFAOYSA-N
MW427.51 g/mol
LogP7.35
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine

2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 146246064) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID146246064
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2ccccc2-c2nc(-c3ccccc3)nc(-c3cc4ccccc4o3)n2)=CCC1
InChIInChI=1S/C29H21N3O/c1-3-11-20(12-4-1)23-16-8-9-17-24(23)28-30-27(21-13-5-2-6-14-21)31-29(32-28)26-19-22-15-7-10-18-25(22)33-26/h2-3,5-19H,1,4H2
InChIKeyVZQYRCXGHABYIF-UHFFFAOYSA-N
XLogP7.35
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146183190
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174349088
2-(1-benzofuran-2-yl)-4-[2-[2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 167411750
2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069
2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 174304257
2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 138618029
9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
CID 170020737
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-naphtho[2,3-b][1]benzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167008587
2-cyclohexa-1,5-dien-1-yl-4-[4-(7-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167184344
2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 165151283
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine (CID 146246064) is 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine is C1=CC(c2ccccc2-c2nc(-c3ccccc3)nc(-c3cc4ccccc4o3)n2)=CCC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is VZQYRCXGHABYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-3-11-20(12-4-1)23-16-8-9-17-24(23)28-30-27(21-13-5-2-6-14-21)31-29(32-28)26-19-22-15-7-10-18-25(22)33-26/h2-3,5-19H,1,4H2.
What are the key properties of 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 427.51 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146246064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).