2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine

C22H16ClN3O — CID 142384780

IUPAC2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine
SMILESC=Cc1oc2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc2c1/C=C\C
InChIInChI=1S/C22H16ClN3O/c1-3-8-16-17-13-15(11-12-19(17)27-18(16)4-2)21-24-20(25-22(23)26-21)14-9-6-5-7-10-14/h3-13H,2H2,1H3/b8-3-
InChIKeyNVFVFWOJPLKAFI-BAQGIRSFSA-N
MW373.84 g/mol
LogP6.28
Rot. Bonds4

About 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine

2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine (PubChem CID 142384780) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine
PubChem CID142384780
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine
SMILESC=Cc1oc2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc2c1/C=C\C
InChIInChI=1S/C22H16ClN3O/c1-3-8-16-17-13-15(11-12-19(17)27-18(16)4-2)21-24-20(25-22(23)26-21)14-9-6-5-7-10-14/h3-13H,2H2,1H3/b8-3-
InChIKeyNVFVFWOJPLKAFI-BAQGIRSFSA-N
XLogP6.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine
CID 166654735
5-[2-ethenyl-1-[(Z)-prop-1-enyl]-[1]benzofuro[3,2-e][1]benzofuran-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167256599
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene
CID 142293061
3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 146215674
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 155049857
2-chloro-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 170204813
2-chloro-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 148797499
2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 163739599
2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170668166

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine (CID 142384780) is 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine is C=Cc1oc2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc2c1/C=C\C.
What is the InChIKey of 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is NVFVFWOJPLKAFI-BAQGIRSFSA-N. The full InChI is InChI=1S/C22H16ClN3O/c1-3-8-16-17-13-15(11-12-19(17)27-18(16)4-2)21-24-20(25-22(23)26-21)14-9-6-5-7-10-14/h3-13H,2H2,1H3/b8-3-.
What are the key properties of 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine?
2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 373.84 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 142384780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).