2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine

C33H22ClN3O — CID 138618029

IUPAC2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(C6=CCCC=C6)c5)n4)c3c2c1
InChIInChI=1S/C33H22ClN3O/c34-25-17-18-28-27(20-25)30-26(15-8-16-29(30)38-28)33-36-31(22-11-5-2-6-12-22)35-32(37-33)24-14-7-13-23(19-24)21-9-3-1-4-10-21/h2-3,5-20H,1,4H2
InChIKeyWCSSWDJYIJELDF-UHFFFAOYSA-N
MW512.01 g/mol
LogP9.16
Rot. Bonds4

About 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine

2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 138618029) has the molecular formula C33H22ClN3O and a molecular weight of 512.01 g/mol. Its IUPAC name is 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID138618029
Molecular FormulaC33H22ClN3O
Molecular Weight512.01 g/mol
Exact Mass511.15
IUPAC Name2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(C6=CCCC=C6)c5)n4)c3c2c1
InChIInChI=1S/C33H22ClN3O/c34-25-17-18-28-27(20-25)30-26(15-8-16-29(30)38-28)33-36-31(22-11-5-2-6-12-22)35-32(37-33)24-14-7-13-23(19-24)21-9-3-1-4-10-21/h2-3,5-20H,1,4H2
InChIKeyWCSSWDJYIJELDF-UHFFFAOYSA-N
XLogP9.16
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.01
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(8-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198547
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 166743487
2-[8-(4-chlorophenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142427415
2-(8-chlorodibenzofuran-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 169059443
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
9-[9-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166988281
9-[4-(8-chlorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 153037447
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459

Frequently Asked Questions

What is the IUPAC name of 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine (CID 138618029) is 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine is Clc1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(C6=CCCC=C6)c5)n4)c3c2c1.
What is the InChIKey of 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is WCSSWDJYIJELDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClN3O/c34-25-17-18-28-27(20-25)30-26(15-8-16-29(30)38-28)33-36-31(22-11-5-2-6-12-22)35-32(37-33)24-14-7-13-23(19-24)21-9-3-1-4-10-21/h2-3,5-20H,1,4H2.
What are the key properties of 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 512.01 g/mol, XLogP of 9.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138618029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).